2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-methyl-4-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-methyl-4-(o-tolyl)-1,2,4-triazole-3-thione Formula: C18H27N4S+ MolecularWeight: 331.49878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)N(C(=N2)C)C3=CC=CC=C3C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)N(C(=N2)C)C3=CC=CC=C3C

InChI

InChI=1S/C18H26N4S/c1-4-16-10-7-8-12-20(16)13-21-18(23)22(15(3)19-21)17-11-6-5-9-14(17)2/h5-6,9,11,16H,4,7-8,10,12-13H2,1-3H3/p+1/t16-/m0/s1