N,N-dimethyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[4-(2-thienylmethyl)piperazin-1-ium-1-yl]methyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[[4-(2-thenyl)piperazin-1-ium-1-yl]methyl]benzenesulfonamide Formula: C18H26N3O2S2+ MolecularWeight: 380.54794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C[NH+]2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C[NH+]2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C18H25N3O2S2/c1-19(2)25(22,23)18-7-3-5-16(13-18)14-20-8-10-21(11-9-20)15-17-6-4-12-24-17/h3-7,12-13H,8-11,14-15H2,1-2H3/p+1