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

Systemtic Name: 3,4-dimethyl-N-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 3,4-dimethyl-N-[3-oxo-3-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide CAS Name: 3,4-dimethyl-N-[3-oxo-3-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-(3-thenyl)piperazin-4-ium-1-yl]propyl]-3,4-dimethyl-benzenesulfonamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CSC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CSC=C3)C

InChI

InChI=1S/C20H27N3O3S2/c1-16-3-4-19(13-17(16)2)28(25,26)21-7-5-20(24)23-10-8-22(9-11-23)14-18-6-12-27-15-18/h3-4,6,12-13,15,21H,5,7-11,14H2,1-2H3/p+1