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

Systemtic Name: 5-(2,4-dimethoxyphenyl)-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(2,4-dimethoxyphenyl)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(2,4-dimethoxyphenyl)-3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(2,4-dimethoxyphenyl)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(2,4-dimethoxyphenyl)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C16H22N3O4S+ MolecularWeight: 352.42858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCC(C3)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCC[C@H](C3)O)OC

InChI

InChI=1S/C16H21N3O4S/c1-21-12-5-6-13(14(8-12)22-2)15-17-19(16(24)23-15)10-18-7-3-4-11(20)9-18/h5-6,8,11,20H,3-4,7,9-10H2,1-2H3/p+1/t11-/m1/s1