N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-9-methyl-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-9-methyl-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-9-methyl-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-homoveratryl-4-hydroxy-2-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C20H22N3O5+ MolecularWeight: 384.40578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=O)C(=C([N+]2=CC=C1)O)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C2NC(=O)C(=C([N+]2=CC=C1)O)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H21N3O5/c1-12-5-4-10-23-17(12)22-19(25)16(20(23)26)18(24)21-9-8-13-6-7-14(27-2)15(11-13)28-3/h4-7,10-11H,8-9H2,1-3H3,(H2,21,24,25,26)/p+1