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

Systemtic Name: 5-(3-chlorophenyl)-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3-chlorophenyl)-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3-chlorophenyl)-3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-chlorophenyl)-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-chlorophenyl)-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C14H17ClN3O2S+ MolecularWeight: 326.82168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O2S/c15-11-3-1-2-10(8-11)13-16-18(14(21)20-13)9-17-6-4-12(19)5-7-17/h1-3,8,12,19H,4-7,9H2/p+1