Molecule ID: 92136148

IUPAC Name: N-ethyl-4-[[4-(ethylamino)phenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydron

Description: The molecule is an organic cation obtained by protonation of the free base form of Hoffman's violet. It is a conjugate acid of a Hoffman's violet free base.

SMILES: CCN=C1C=CC(=C(c2ccc(NCC)cc2)c2ccc([NH2+]CC)cc2)C=C1C

SELFIES: [C][C][N][=C][C][=C][C][=Branch2][Ring1][=C][=C][Branch1][=C][C][=C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring2][NH2+1][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch2][C]

InChI: InChI=1S/C26H31N3/c1-5-27-23-13-8-20(9-14-23)26(21-10-15-24(16-11-21)28-6-2)22-12-17-25(29-7-3)19(4)18-22/h8-18,27-28H,5-7H2,1-4H3/p+1

Molecular Properties:
- Polar Surface Area: 36.4 Ų
- LogP: nan