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

Systemtic Name: 4-azanyl-9,10-dimethoxy-2-(3-methoxy-4-oxidanyl-phenyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-2-(4-hydroxy-3-methoxy-phenyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-2-(4-hydroxy-3-methoxyphenyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-2-(4-hydroxy-3-methoxyphenyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-2-(4-hydroxy-3-methoxy-phenyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Formula: C23H22N3O4+ MolecularWeight: 404.43848

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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)O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4/c1-28-20-8-13(4-5-19(20)27)15-10-18-16-11-22(30-3)21(29-2)9-14(16)6-7-26(18)23(25)17(15)12-24/h4-5,8-11H,6-7H2,1-3H3,(H2,25,27)/p+1