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

Systemtic Name: 5-(2-chlorophenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-chlorophenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-(2-chlorophenyl)-2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-(2-chlorophenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-chlorophenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C17H24ClN4S+ MolecularWeight: 351.91726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C17H23ClN4S/c1-3-13-8-6-7-11-21(13)12-22-17(23)20(2)16(19-22)14-9-4-5-10-15(14)18/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3/p+1/t13-/m0/s1