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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)O)C4=CC=C(C=C4)OC

InChI

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