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

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(4-hydroxyphenyl)benzoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H17N2O4+ MolecularWeight: 373.38138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=CC2=O)COC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)O

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=CC2=O)COC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H16N2O4/c25-19-10-8-16(9-11-19)15-4-6-17(7-5-15)22(27)28-14-18-13-21(26)24-12-2-1-3-20(24)23-18/h1-13H,14H2,(H,25,27)/p+1