1-methyl-4-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 4-[[4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-piperidinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 4-[4-(4-benzylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(4-benzylpiperazin-4-ium-1-carbonyl)piperidino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C23H32N5O4S+ MolecularWeight: 474.59628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O4S/c1-25-17-20(15-21(25)22(24)29)33(31,32)28-9-7-19(8-10-28)23(30)27-13-11-26(12-14-27)16-18-5-3-2-4-6-18/h2-6,15,17,19H,7-14,16H2,1H3,(H2,24,29)/p+1