dimethyl-[3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbothioylamino]propyl]azanium Openeye Name: 3-[(4-benzylsulfonylpiperazine-1-carbothioyl)amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[4-(phenylmethyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: 3-[(4-benzylsulfonylpiperazine-1-carbothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-benzylsulfonylpiperazine-1-carbothioyl)amino]propyl-dimethyl-ammonium Formula: C17H29N4O2S2+ MolecularWeight: 385.56776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O2S2/c1-19(2)10-6-9-18-17(24)20-11-13-21(14-12-20)25(22,23)15-16-7-4-3-5-8-16/h3-5,7-8H,6,9-15H2,1-2H3,(H,18,24)/p+1