(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic 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 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H24ClN2O5+ MolecularWeight: 431.88936

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C)OCC

InChI

InChI=1S/C22H23ClN2O5/c1-4-8-29-21-17(23)9-15(10-18(21)28-5-2)22(27)30-13-16-11-20(26)25-12-14(3)6-7-19(25)24-16/h6-7,9-12H,4-5,8,13H2,1-3H3/p+1