1-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione

Systemtic Name: 1-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione Openeye Name: 1-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-3-methyl-imidazole-2-thione CAS Name: 1-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-3-methyl-2-imidazolethione IUPAC Name: 1-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methylimidazole-2-thione Traditional Name: 1-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-3-methyl-4-imidazoline-2-thione Formula: C18H25N4O2S2+ MolecularWeight: 393.5467

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C18H24N4O2S2/c1-19-7-10-21(18(19)25)14-20-8-11-22(12-9-20)26(23,24)17-6-5-15-3-2-4-16(15)13-17/h5-7,10,13H,2-4,8-9,11-12,14H2,1H3/p+1