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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(2-methoxyethylsulfamoyl)benzoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(2-methoxyethylsulfamoyl)benzoate CAS Name: 4-(2-methoxyethylsulfamoyl)benzoic acid (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(2-methoxyethylsulfamoyl)benzoate Traditional Name: 4-(2-methoxyethylsulfamoyl)benzoic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C19H19ClN3O6S+ MolecularWeight: 452.88866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O6S/c1-28-9-8-21-30(26,27)16-5-2-13(3-6-16)19(25)29-12-15-10-18(24)23-11-14(20)4-7-17(23)22-15/h2-7,10-11,21H,8-9,12H2,1H3/p+1