1-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]pyrrole-2-carboxylate

Systemtic Name: 1-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]pyrrole-2-carboxylate Openeye Name: 1-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]pyrrole-2-carboxylate CAS Name: 1-methyl-4-[methyl-(1-methyl-4-piperidin-1-iumyl)sulfamoyl]-2-pyrrolecarboxylate IUPAC Name: 1-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]pyrrole-2-carboxylate Traditional Name: 1-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]pyrrole-2-carboxylate Formula: C13H21N3O4S MolecularWeight: 315.38854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CN(C(=C2)C(=O)[O-])C

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CN(C(=C2)C(=O)[O-])C

InChI

InChI=1S/C13H21N3O4S/c1-14-6-4-10(5-7-14)16(3)21(19,20)11-8-12(13(17)18)15(2)9-11/h8-10H,4-7H2,1-3H3,(H,17,18)