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

Systemtic Name: 5-(4-chlorophenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Formula: C14H18ClN4OS+ MolecularWeight: 325.83692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CN2C(=S)N=C(N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1O)CN2C(=S)N=C(N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H17ClN4OS/c15-11-3-1-10(2-4-11)13-16-14(21)19(17-13)9-18-7-5-12(20)6-8-18/h1-4,12,20H,5-9H2,(H,16,17,21)/p+1