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

Systemtic Name: 4,5-bis(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]-4,5-bis(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4,5-bis(p-tolyl)-1,2,4-triazole-3-thione Formula: C22H27N4OS+ MolecularWeight: 395.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=C(C=C3)C)C[NH+]4CCC(CC4)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=C(C=C3)C)C[NH+]4CCC(CC4)O

InChI

InChI=1S/C22H26N4OS/c1-16-3-7-18(8-4-16)21-23-25(15-24-13-11-20(27)12-14-24)22(28)26(21)19-9-5-17(2)6-10-19/h3-10,20,27H,11-15H2,1-2H3/p+1