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

Systemtic Name: 4-azanyl-9,10-dimethoxy-2-phenyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-9,10-dimethoxy-2-phenyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-9,10-dimethoxy-2-phenyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-9,10-dimethoxy-2-phenyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-9,10-dimethoxy-2-phenyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Formula: C22H20N3O2+ MolecularWeight: 358.4131

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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=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2/c1-26-20-10-15-8-9-25-19(17(15)12-21(20)27-2)11-16(18(13-23)22(25)24)14-6-4-3-5-7-14/h3-7,10-12,24H,8-9H2,1-2H3/p+1