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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCCC(C3)O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCC[C@H](C3)O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-2-28-20-12-10-18(11-13-20)26-21(17-7-4-3-5-8-17)23-25(22(26)29)16-24-14-6-9-19(27)15-24/h3-5,7-8,10-13,19,27H,2,6,9,14-16H2,1H3/p+1/t19-/m1/s1