2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[homoveratryl(methyl)amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H21N4O5+ MolecularWeight: 385.39384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5/c1-21(11-9-13-7-8-14(27-2)15(12-13)28-3)18-17(23(25)26)19(24)22-10-5-4-6-16(22)20-18/h4-8,10,12H,9,11H2,1-3H3/p+1