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

Systemtic Name: 5-(4-methoxyphenyl)-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C18H27N4O2S+ MolecularWeight: 363.49758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=S)C[NH+]2CCCC(C2)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)C[NH+]2CCC[C@H](C2)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H26N4O2S/c1-13(2)22-17(14-6-8-16(24-3)9-7-14)19-21(18(22)25)12-20-10-4-5-15(23)11-20/h6-9,13,15,23H,4-5,10-12H2,1-3H3/p+1/t15-/m1/s1