butyl 4-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]benzoate Traditional Name: 4-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]benzoic acid butyl ester Formula: C20H20N3O4+ MolecularWeight: 366.3905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-2-3-12-27-20(26)14-7-9-15(10-8-14)22-18(24)16-13-21-17-6-4-5-11-23(17)19(16)25/h4-11,13H,2-3,12H2,1H3,(H,22,24,26)/p+1