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

Systemtic Name: 5-(3-bromophenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 5-(3-bromophenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-(3-bromophenyl)-2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-(3-bromophenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-(3-bromophenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C17H24BrN4S+ MolecularWeight: 396.36826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN4S/c1-3-15-9-4-5-10-21(15)12-22-17(23)20(2)16(19-22)13-7-6-8-14(18)11-13/h6-8,11,15H,3-5,9-10,12H2,1-2H3/p+1/t15-/m0/s1