methyl 1-methyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]sulfamoyl]pyrrole-2-carboxylate

Systemtic Name: methyl 1-methyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]sulfamoyl]pyrrole-2-carboxylate Openeye Name: methyl 5-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]-1-methyl-pyrrole-2-carboxylate CAS Name: 1-methyl-5-[[1-(phenylmethyl)-4-piperidin-1-iumyl]sulfamoyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxylate Traditional Name: 5-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C19H26N3O4S+ MolecularWeight: 392.49244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C(=CC=C1S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H25N3O4S/c1-21-17(19(23)26-2)8-9-18(21)27(24,25)20-16-10-12-22(13-11-16)14-15-6-4-3-5-7-15/h3-9,16,20H,10-14H2,1-2H3/p+1