Molecule ID: 74395

IUPAC Name: 2-naphthalen-1-yl-3,5-diphenyltetrazol-2-ium;chloride

Description: The molecule is an organic chloride salt having tetrazolium violet(1+) as the counterion. It has a role as a dye, an apoptosis inducer and an antineoplastic agent. It contains a tetrazolium violet(1+).

SMILES: [Cl-].c1ccc(-c2nn(-c3ccccc3)[n+](-c3cccc4ccccc34)n2)cc1

SELFIES: [Cl-1].[C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]

InChI: InChI=1S/C23H17N4.ClH/c1-3-11-19(12-4-1)23-24-26(20-14-5-2-6-15-20)27(25-23)22-17-9-13-18-10-7-8-16-21(18)22;/h1-17H;1H/q+1;/p-1

Molecular Properties:
- Polar Surface Area: 34.6 Ų
- LogP: nan