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

Systemtic Name: 5-(3-bromophenyl)-4-methyl-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(3-bromophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-(3-bromophenyl)-2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-(3-bromophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-(3-bromophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C15H20BrN4OS+ MolecularWeight: 384.3145

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC(C2)O)C3=CC(=CC=C3)Br

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@H](C2)O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C15H19BrN4OS/c1-18-14(11-4-2-5-12(16)8-11)17-20(15(18)22)10-19-7-3-6-13(21)9-19/h2,4-5,8,13,21H,3,6-7,9-10H2,1H3/p+1/t13-/m1/s1