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

Systemtic Name: ethyl (3R)-1-[[5-(4-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[[5-(4-ethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[[5-(4-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[[5-(4-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(5-p-phenetyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCC[C@H](C3)C(=O)OCC

InChI

InChI=1S/C19H25N3O4S/c1-3-24-16-9-7-14(8-10-16)17-20-22(19(27)26-17)13-21-11-5-6-15(12-21)18(23)25-4-2/h7-10,15H,3-6,11-13H2,1-2H3/p+1/t15-/m1/s1