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

Systemtic Name: 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C17H29N4O3S2+ MolecularWeight: 401.56716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O3S2/c1-19(2)10-4-9-18-17(25)20-11-13-21(14-12-20)26(22,23)16-7-5-15(24-3)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,18,25)/p+1