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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-3-23-17(22)15-8-10-20(11-9-15)12-21-18(25)24-16(19-21)14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3/p+1