(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(3-methoxy-4-methyl-phenyl)ethanoate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(3-methoxy-4-methyl-phenyl)ethanoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(3-methoxy-4-methyl-phenyl)acetate CAS Name: 2-(3-methoxy-4-methylphenyl)acetic 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-(3-methoxy-4-methylphenyl)acetate Traditional Name: 2-(3-methoxy-4-methyl-phenyl)acetic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CC3=CC(=C(C=C3)C)OC

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CC3=CC(=C(C=C3)C)OC

InChI

InChI=1S/C20H20N2O4/c1-13-4-7-18-21-16(10-19(23)22(18)11-13)12-26-20(24)9-15-6-5-14(2)17(8-15)25-3/h4-8,10-11H,9,12H2,1-3H3/p+1