(8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate Openeye Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate CAS Name: 1-methyl-4-(methylsulfamoyl)-2-pyrrolecarboxylic 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 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate Traditional Name: 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylic acid (4-keto-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H19N4O5S+ MolecularWeight: 391.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC(=O)C3=CC(=CN3C)S(=O)(=O)NC

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC(=O)C3=CC(=CN3C)S(=O)(=O)NC

InChI

InChI=1S/C17H18N4O5S/c1-11-4-5-21-15(6-11)19-12(7-16(21)22)10-26-17(23)14-8-13(9-20(14)3)27(24,25)18-2/h4-9,18H,10H2,1-3H3/p+1