4-(2-methoxyphenyl)-5-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2-methoxyphenyl)-5-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(1-benzylpiperidin-1-ium-4-yl)-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2-methoxyphenyl)-5-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(1-benzylpiperidin-1-ium-4-yl)-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(1-benzylpiperidin-1-ium-4-yl)-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2[S-])C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2[S-])C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c1-26-19-10-6-5-9-18(19)25-20(22-23-21(25)27)17-11-13-24(14-12-17)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,23,27)