6-[(2,6-dimethylphenyl)amino]-9-(4-ethoxyphenyl)-9-aza-7-azoniaspiro[4.4]non-6-ene-8-thione

Systemtic Name: 6-[(2,6-dimethylphenyl)amino]-9-(4-ethoxyphenyl)-9-aza-7-azoniaspiro[4.4]non-6-ene-8-thione Openeye Name: 6-(2,6-dimethylanilino)-9-(4-ethoxyphenyl)-9-aza-7-azoniaspiro[4.4]non-6-ene-8-thione CAS Name: 6-(2,6-dimethylanilino)-9-(4-ethoxyphenyl)-9-aza-7-azoniaspiro[4.4]non-6-ene-8-thione IUPAC Name: 6-(2,6-dimethylanilino)-9-(4-ethoxyphenyl)-9-aza-7-azoniaspiro[4.4]non-6-ene-8-thione Traditional Name: 6-(2,6-dimethylanilino)-9-p-phenetyl-9-aza-7-azoniaspiro[4.4]non-6-ene-8-thione Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=S)[NH+]=C(C23CCCC3)NC4=C(C=CC=C4C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=S)[NH+]=C(C23CCCC3)NC4=C(C=CC=C4C)C

InChI

InChI=1S/C23H27N3OS/c1-4-27-19-12-10-18(11-13-19)26-22(28)25-21(23(26)14-5-6-15-23)24-20-16(2)8-7-9-17(20)3/h7-13H,4-6,14-15H2,1-3H3,(H,24,25,28)/p+1