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

Systemtic Name: 4-azanyl-2-(3,4-diethoxyphenyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-2-(3,4-diethoxyphenyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-2-(3,4-diethoxyphenyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-2-(3,4-diethoxyphenyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-2-(3,4-diethoxyphenyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Formula: C26H28N3O4+ MolecularWeight: 446.51822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CC3=[N+](CCC4=CC(=C(C=C43)OC)OC)C(=C2C#N)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CC3=[N+](CCC4=CC(=C(C=C43)OC)OC)C(=C2C#N)N)OCC

InChI

InChI=1S/C26H27N3O4/c1-5-32-22-8-7-16(12-25(22)33-6-2)18-13-21-19-14-24(31-4)23(30-3)11-17(19)9-10-29(21)26(28)20(18)15-27/h7-8,11-14,28H,5-6,9-10H2,1-4H3/p+1