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

Systemtic Name: 5-(2-methoxyphenyl)-4-methyl-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-(2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC(C2)O)C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@H](C2)O)C3=CC=CC=C3OC

InChI

InChI=1S/C16H22N4O2S/c1-18-15(13-7-3-4-8-14(13)22-2)17-20(16(18)23)11-19-9-5-6-12(21)10-19/h3-4,7-8,12,21H,5-6,9-11H2,1-2H3/p+1/t12-/m1/s1