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

Systemtic Name: (8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(hydroxymethyl)benzoate Openeye Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid (4-keto-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H17N2O4+ MolecularWeight: 325.33858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC(=O)C3=CC=C(C=C3)CO

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC(=O)C3=CC=C(C=C3)CO

InChI

InChI=1S/C18H16N2O4/c1-12-6-7-20-16(8-12)19-15(9-17(20)22)11-24-18(23)14-4-2-13(10-21)3-5-14/h2-9,21H,10-11H2,1H3/p+1