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

Systemtic Name: 4-oxidanylidene-N-(2-phenoxyethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: 4-oxo-N-(2-phenoxyethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: 4-oxo-N-(2-phenoxyethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: 4-oxo-N-(2-phenoxyethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-keto-N-(2-phenoxyethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C17H16N3O3+ MolecularWeight: 310.32724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O

Isomeric SMILES

C1=CC=C(C=C1)OCCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O

InChI

InChI=1S/C17H15N3O3/c21-16(18-9-11-23-13-6-2-1-3-7-13)14-12-19-15-8-4-5-10-20(15)17(14)22/h1-8,10,12H,9,11H2,(H,18,21)/p+1