4-azanyl-9,10-dimethoxy-2-(4-methylsulfanylphenyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile

Systemtic Name: 4-azanyl-9,10-dimethoxy-2-(4-methylsulfanylphenyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-9,10-dimethoxy-2-(4-methylsulfanylphenyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-9,10-dimethoxy-2-[4-(methylthio)phenyl]-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-9,10-dimethoxy-2-(4-methylsulfanylphenyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-9,10-dimethoxy-2-[4-(methylthio)phenyl]-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Formula: C23H22N3O2S+ MolecularWeight: 404.50468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+]3=C2C=C(C(=C3N)C#N)C4=CC=C(C=C4)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+]3=C2C=C(C(=C3N)C#N)C4=CC=C(C=C4)SC)OC

InChI

InChI=1S/C23H21N3O2S/c1-27-21-10-15-8-9-26-20(18(15)12-22(21)28-2)11-17(19(13-24)23(26)25)14-4-6-16(29-3)7-5-14/h4-7,10-12,25H,8-9H2,1-3H3/p+1