3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione Formula: C17H26N5S+ MolecularWeight: 332.48684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCN1C(=NNC1=S)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C17H25N5S/c1-4-22-16(18-19-17(22)23)12-20-8-10-21(11-9-20)15-7-5-6-13(2)14(15)3/h5-7H,4,8-12H2,1-3H3,(H,19,23)/p+1