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

Systemtic Name: 5-[(2-methylphenoxy)methyl]-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCC(C4)O

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC[C@H](C4)O

InChI

InChI=1S/C22H26N4O2S/c1-17-8-5-6-12-20(17)28-15-21-23-25(16-24-13-7-11-19(27)14-24)22(29)26(21)18-9-3-2-4-10-18/h2-6,8-10,12,19,27H,7,11,13-16H2,1H3/p+1/t19-/m1/s1