N-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-thiophene-2-carboxamide

Systemtic Name: N-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-thiophene-2-carboxamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-thiophene-2-carboxamide CAS Name: N-methyl-4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-thiophenecarboxamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-methylthiophene-2-carboxamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-thiophene-2-carboxamide Formula: C17H22N3O3S2+ MolecularWeight: 380.50488

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CS1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=CC(=CS1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3S2/c1-18-17(21)16-11-15(13-24-16)25(22,23)20-9-7-19(8-10-20)12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H,18,21)/p+1