dimethyl-[2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl]azanium Openeye Name: 2-[(4-benzylsulfonylpiperazine-1-carbothioyl)amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[[4-(phenylmethyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: 2-[(4-benzylsulfonylpiperazine-1-carbothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-benzylsulfonylpiperazine-1-carbothioyl)amino]ethyl-dimethyl-ammonium Formula: C16H27N4O2S2+ MolecularWeight: 371.54118

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H26N4O2S2/c1-18(2)9-8-17-16(23)19-10-12-20(13-11-19)24(21,22)14-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,17,23)/p+1