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

Systemtic Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-indan-5-ylsulfonylpiperazine-1-carbothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-indan-5-ylsulfonylpiperazine-1-carbothioyl)amino]propyl-dimethyl-ammonium Formula: C19H31N4O2S2+ MolecularWeight: 411.60504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2S2/c1-21(2)10-4-9-20-19(26)22-11-13-23(14-12-22)27(24,25)18-8-7-16-5-3-6-17(16)15-18/h7-8,15H,3-6,9-14H2,1-2H3,(H,20,26)/p+1