5-(4-methoxyphenyl)-4-(phenylmethyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-4-(phenylmethyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(4-methoxyphenyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-(phenylmethyl)-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(4-methoxyphenyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(4-methoxyphenyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C28H31N4OS+ MolecularWeight: 471.63694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCC(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4OS/c1-33-26-14-12-25(13-15-26)27-29-32(28(34)31(27)20-22-8-4-2-5-9-22)21-30-18-16-24(17-19-30)23-10-6-3-7-11-23/h2-15,24H,16-21H2,1H3/p+1