Molecule ID: 6728

IUPAC Name: [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium

Description: The molecule is an iminium ion that forms the cationic portion of the histological dye 'methyl green'. It is an iminium ion and a quaternary ammonium ion.

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

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

InChI: InChI=1S/C26H33N3/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7/h8-19H,1-7H3/q+2

Molecular Properties:
- Polar Surface Area: 6.2 Ų
- LogP: 4.7