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

Systemtic Name: 5-methyl-4-(4-methylphenyl)-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-methyl-4-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-methyl-4-(p-tolyl)-1,2,4-triazole-3-thione Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCCC(C3)O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCC[C@H](C3)O)C

InChI

InChI=1S/C16H22N4OS/c1-12-5-7-14(8-6-12)20-13(2)17-19(16(20)22)11-18-9-3-4-15(21)10-18/h5-8,15,21H,3-4,9-11H2,1-2H3/p+1/t15-/m1/s1