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

Systemtic Name: 5-(4-chlorophenyl)-4-ethyl-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-4-ethyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-ethyl-2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-4-ethyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-4-ethyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C16H22ClN4OS+ MolecularWeight: 353.89008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCC(C2)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC[C@H](C2)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H21ClN4OS/c1-2-20-15(12-5-7-13(17)8-6-12)18-21(16(20)23)11-19-9-3-4-14(22)10-19/h5-8,14,22H,2-4,9-11H2,1H3/p+1/t14-/m1/s1