6-[(2,6-dimethylphenyl)amino]-9-(3-methylphenyl)-9-aza-7-azoniaspiro[4.4]non-6-ene-8-thione

Systemtic Name: 6-[(2,6-dimethylphenyl)amino]-9-(3-methylphenyl)-9-aza-7-azoniaspiro[4.4]non-6-ene-8-thione Openeye Name: 6-(2,6-dimethylanilino)-9-(m-tolyl)-9-aza-7-azoniaspiro[4.4]non-6-ene-8-thione CAS Name: 6-(2,6-dimethylanilino)-9-(3-methylphenyl)-9-aza-7-azoniaspiro[4.4]non-6-ene-8-thione IUPAC Name: 6-(2,6-dimethylanilino)-9-(3-methylphenyl)-9-aza-7-azoniaspiro[4.4]non-6-ene-8-thione Traditional Name: 6-(2,6-dimethylanilino)-9-(m-tolyl)-9-aza-7-azoniaspiro[4.4]non-6-ene-8-thione Formula: C22H26N3S+ MolecularWeight: 364.52694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=S)[NH+]=C(C23CCCC3)NC4=C(C=CC=C4C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=S)[NH+]=C(C23CCCC3)NC4=C(C=CC=C4C)C

InChI

InChI=1S/C22H25N3S/c1-15-8-6-11-18(14-15)25-21(26)24-20(22(25)12-4-5-13-22)23-19-16(2)9-7-10-17(19)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,24,26)/p+1