Molecule ID: 91828256

IUPAC Name: [(4E)-4-[(4-amino-3-methylphenyl)-(4-aminophenyl)methylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]azanium

Description: The molecule is an iminium ion obtained by protonation of the imino group of magenta II free base. It is a conjugate acid of a magenta II free base.

SMILES: CC1=C/C(=C(\c2ccc([NH3+])cc2)c2ccc(N)c(C)c2)C=CC1=N

SELFIES: [C][C][=C][/C][=Branch2][Ring1][=N][=C][Branch1][N][\C][=C][C][=C][Branch1][C][NH3+1][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][C][Ring2][Ring1][=Branch1][=N]

InChI: InChI=1S/C21H21N3/c1-13-11-16(5-9-19(13)23)21(15-3-7-18(22)8-4-15)17-6-10-20(24)14(2)12-17/h3-12,23H,22,24H2,1-2H3/p+1/b21-16+,23-19?

Molecular Properties:
- Polar Surface Area: 77.6 Ų
- LogP: 4.0