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

Systemtic Name: (9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(phenylmethyl)benzoate Openeye Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid (4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C24H21N2O3+ MolecularWeight: 385.43514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O3/c1-17-8-7-13-26-22(27)15-20(25-23(17)26)16-29-24(28)21-12-6-5-11-19(21)14-18-9-3-2-4-10-18/h2-13,15H,14,16H2,1H3/p+1