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

Systemtic Name: ethyl 1-[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(3,4-dimethylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(3,4-dimethylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C19H25N3O3S/c1-4-24-18(23)15-7-9-21(10-8-15)12-22-19(26)25-17(20-22)16-6-5-13(2)14(3)11-16/h5-6,11,15H,4,7-10,12H2,1-3H3/p+1