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

Systemtic Name: 4-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-methoxyphenyl)-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C15H21N4OS+ MolecularWeight: 305.41844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN(C2=S)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN(C2=S)C[NH+]3CCCCC3

InChI

InChI=1S/C15H20N4OS/c1-20-14-7-5-13(6-8-14)18-11-16-19(15(18)21)12-17-9-3-2-4-10-17/h5-8,11H,2-4,9-10,12H2,1H3/p+1