methyl 1-[[5-(3,5-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[5-(3,5-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(3,5-dimethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(3,5-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(3,5-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(3,5-dimethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H24N3O5S+ MolecularWeight: 394.46526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCC(CC3)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCC(CC3)C(=O)OC)OC

InChI

InChI=1S/C18H23N3O5S/c1-23-14-8-13(9-15(10-14)24-2)16-19-21(18(27)26-16)11-20-6-4-12(5-7-20)17(22)25-3/h8-10,12H,4-7,11H2,1-3H3/p+1