(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-benzamidobutanoate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-benzamidobutanoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H20N3O4+ MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCCC(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCCC(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C20H19N3O4/c24-18-13-16(22-17-9-4-5-12-23(17)18)14-27-19(25)10-6-11-21-20(26)15-7-2-1-3-8-15/h1-5,7-9,12-13H,6,10-11,14H2,(H,21,26)/p+1