Molecule ID: 14345209

IUPAC Name: [4-[(4-aminophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

Description: The molecule is an iminium ion obtained by protonation of the imino group of Methyl violet 2B free base. It is a conjugate acid of a Methyl violet 2B free base.

SMILES: CN(C)c1ccc(C(=C2C=CC(=[NH2+])C=C2)c2ccc(N(C)C)cc2)cc1

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

InChI: InChI=1S/C23H25N3/c1-25(2)21-13-7-18(8-14-21)23(17-5-11-20(24)12-6-17)19-9-15-22(16-10-19)26(3)4/h5-16,24H,1-4H3/p+1

Molecular Properties:
- Polar Surface Area: 32.299 Ų
- LogP: 4.1