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

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-pentoxybenzoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic 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 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C

InChI

InChI=1S/C22H24N2O4/c1-3-4-5-12-27-19-9-7-17(8-10-19)22(26)28-15-18-13-21(25)24-14-16(2)6-11-20(24)23-18/h6-11,13-14H,3-5,12,15H2,1-2H3/p+1