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

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2,5-dimethylphenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2,5-dimethylphenyl)-2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2,5-dimethylphenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2,5-dimethylphenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-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)C3=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4S/c1-4-16-7-5-6-10-20(16)13-22-18(23)21(12-19-22)17-11-14(2)8-9-15(17)3/h8-9,11-12,16H,4-7,10,13H2,1-3H3/p+1/t16-/m0/s1