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

Systemtic Name: 5-(2-bromophenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(2-bromophenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(2-bromophenyl)-2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(2-bromophenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(2-bromophenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C16H22BrN4S+ MolecularWeight: 382.34168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)N=C(N2)C3=CC=CC=C3Br

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)N=C(N2)C3=CC=CC=C3Br

InChI

InChI=1S/C16H21BrN4S/c1-2-12-7-5-6-10-20(12)11-21-16(22)18-15(19-21)13-8-3-4-9-14(13)17/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,18,19,22)/p+1/t12-/m0/s1