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

Systemtic Name: 5-(4-methoxyphenyl)-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-phenethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2CCC3=CC=CC=C3)C[NH+]4CCCC(C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2CCC3=CC=CC=C3)C[NH+]4CCC[C@H](C4)O

InChI

InChI=1S/C23H28N4O2S/c1-29-21-11-9-19(10-12-21)22-24-27(17-25-14-5-8-20(28)16-25)23(30)26(22)15-13-18-6-3-2-4-7-18/h2-4,6-7,9-12,20,28H,5,8,13-17H2,1H3/p+1/t20-/m1/s1