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

Systemtic Name: 5-(2-bromophenyl)-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(2-bromophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(2-bromophenyl)-2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(2-bromophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(2-bromophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C14H18BrN4OS+ MolecularWeight: 370.28792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)N=C(N2)C3=CC=CC=C3Br)O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C(=S)N=C(N2)C3=CC=CC=C3Br)O

InChI

InChI=1S/C14H17BrN4OS/c15-12-6-2-1-5-11(12)13-16-14(21)19(17-13)9-18-7-3-4-10(20)8-18/h1-2,5-6,10,20H,3-4,7-9H2,(H,16,17,21)/p+1/t10-/m1/s1