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

Systemtic Name: ethyl (3S)-1-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(p-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[5-(p-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H23N3O3S/c1-3-23-17(22)15-5-4-10-20(11-15)12-21-18(25)24-16(19-21)14-8-6-13(2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3/p+1/t15-/m0/s1