methyl 4-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzoate

Systemtic Name: methyl 4-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzoate Openeye Name: methyl 4-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzoate CAS Name: 4-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzoate Traditional Name: 4-[(4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzoic acid methyl ester Formula: C18H18N3O3+ MolecularWeight: 324.35382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CNC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CNC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O3/c1-12-4-3-9-21-16(22)10-15(20-17(12)21)11-19-14-7-5-13(6-8-14)18(23)24-2/h3-10H,11H2,1-2H3,(H,19,23)/p+1