N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-homoveratryl-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C19H20N3O4+ MolecularWeight: 354.3798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O)OC

InChI

InChI=1S/C19H19N3O4/c1-25-15-7-6-13(11-16(15)26-2)8-9-20-18(23)14-12-21-17-5-3-4-10-22(17)19(14)24/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)/p+1