5-(4-methoxyphenyl)-4-(2-methylpropyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-4-(2-methylpropyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-isobutyl-5-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-(2-methylpropyl)-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-(2-methylpropyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-isobutyl-5-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C19H29N4OS+ MolecularWeight: 361.52476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN(C1=S)C[NH+]2CCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN1C(=NN(C1=S)C[NH+]2CCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H28N4OS/c1-15(2)13-22-18(16-7-9-17(24-3)10-8-16)20-23(19(22)25)14-21-11-5-4-6-12-21/h7-10,15H,4-6,11-14H2,1-3H3/p+1