butyl 4-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]benzoate CAS Name: 4-[[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]benzoate Traditional Name: 4-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]benzoic acid butyl ester Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CNC3=[N+](C2=O)C=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CNC3=[N+](C2=O)C=C(C=C3)C

InChI

InChI=1S/C21H21N3O4/c1-3-4-11-28-21(27)15-6-8-16(9-7-15)23-19(25)17-12-22-18-10-5-14(2)13-24(18)20(17)26/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25,27)/p+1