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

Systemtic Name: 4-ethyl-5-(4-methoxyphenyl)-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C17H25N4O2S+ MolecularWeight: 349.471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCC(C2)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC[C@H](C2)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H24N4O2S/c1-3-20-16(13-6-8-15(23-2)9-7-13)18-21(17(20)24)12-19-10-4-5-14(22)11-19/h6-9,14,22H,3-5,10-12H2,1-2H3/p+1/t14-/m1/s1