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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=C1C(=O)OC)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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