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

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(butylamino)benzoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C

InChI

InChI=1S/C21H23N3O3/c1-3-4-11-22-18-8-6-5-7-17(18)21(26)27-14-16-12-20(25)24-13-15(2)9-10-19(24)23-16/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,22,26)/p+1