crystal violet cation

CHEBI:77181 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

An iminium ion that is malachite green cation in which the hydrogen at the para- psition of the monosubstituted phenyl group is replaced by a dimethylamino group. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:35286 CHEBI:35286

Chemical structure

Computed structure properties
Molecular formula	C25H30N3
Charge	1
Average mass	372.536 Da
Monoisotopic mass	372.24342 Da
Source	ChEBI
InChIKey	LGLFFNDHMLKUMI-UHFFFAOYSA-N

SMILES

CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1

InChI

InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1

Also called

4-{bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium (EXACT_SYNONYM)— chebi
crystal violet carbocation (EXACT_SYNONYM)— chebi
crystal violet ion(1) (EXACT_SYNONYM)— chebi
crystal violet(1+) (EXACT_SYNONYM)— chebi
gentian violet carbocation (EXACT_SYNONYM)— chebi
gentian violet cation (EXACT_SYNONYM)— chebi
gentian violet(1+) (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:7438-46-2
drugcentral:4138
reaxys:1892148

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:33282 CHEBI:33282
CHEBI:35718 CHEBI:35718

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:77181`	crystal violet cation	`antibioticmech:chebi-823be5d47e`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.