methyl 4-(4-azanyl-3-cyano-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-2-yl)benzoate

Systemtic Name: methyl 4-(4-azanyl-3-cyano-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-2-yl)benzoate Openeye Name: methyl 4-(4-amino-3-cyano-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-2-yl)benzoate CAS Name: 4-(4-amino-3-cyano-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-amino-3-cyano-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-2-yl)benzoate Traditional Name: 4-(4-amino-3-cyano-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-2-yl)benzoic acid methyl ester Formula: C24H22N3O4+ MolecularWeight: 416.44918

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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)C(=O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4/c1-29-21-10-16-8-9-27-20(18(16)12-22(21)30-2)11-17(19(13-25)23(27)26)14-4-6-15(7-5-14)24(28)31-3/h4-7,10-12,26H,8-9H2,1-3H3/p+1