2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-indan-5-ylsulfonylpiperazine-1-carbothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-indan-5-ylsulfonylpiperazine-1-carbothioyl)amino]ethyl-dimethyl-ammonium Formula: C18H29N4O2S2+ MolecularWeight: 397.57846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H28N4O2S2/c1-20(2)9-8-19-18(25)21-10-12-22(13-11-21)26(23,24)17-7-6-15-4-3-5-16(15)14-17/h6-7,14H,3-5,8-13H2,1-2H3,(H,19,25)/p+1