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

Systemtic Name: 5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCC(C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC[C@H](C4)O

InChI

InChI=1S/C21H24N4O2S/c1-27-19-11-9-16(10-12-19)20-22-24(15-23-13-5-8-18(26)14-23)21(28)25(20)17-6-3-2-4-7-17/h2-4,6-7,9-12,18,26H,5,8,13-15H2,1H3/p+1/t18-/m1/s1