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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-homoveratryl-4-hydroxy-2-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C19H20N3O5+ MolecularWeight: 370.3792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C([N+]3=CC=CC=C3NC2=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C([N+]3=CC=CC=C3NC2=O)O)OC

InChI

InChI=1S/C19H19N3O5/c1-26-13-7-6-12(11-14(13)27-2)8-9-20-17(23)16-18(24)21-15-5-3-4-10-22(15)19(16)25/h3-7,10-11H,8-9H2,1-2H3,(H2,20,23,24,25)/p+1