3-[[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(2-cyanophenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(2-cyanophenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(2-cyanophenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C17H26N5O2S2+ MolecularWeight: 396.55064

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C17H25N5O2S2/c1-20(2)9-5-8-19-17(25)21-10-12-22(13-11-21)26(23,24)16-7-4-3-6-15(16)14-18/h3-4,6-7H,5,8-13H2,1-2H3,(H,19,25)/p+1