5-(4-ethylphenyl)-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-ethylphenyl)-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethylphenyl)-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethylphenyl)-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-ethylphenyl)-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCCC(C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC[C@H](C3)C

InChI

InChI=1S/C17H24N4S/c1-3-14-6-8-15(9-7-14)16-18-17(22)21(19-16)12-20-10-4-5-13(2)11-20/h6-9,13H,3-5,10-12H2,1-2H3,(H,18,19,22)/p+1/t13-/m1/s1