4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C19H22N4O3S2/c1-21-12-15(10-17(21)19(20)24)28(25,26)23-8-6-22(7-9-23)11-14-13-27-18-5-3-2-4-16(14)18/h2-5,10,12-13H,6-9,11H2,1H3,(H2,20,24)/p+1