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

Systemtic Name: ethyl (3S)-1-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(5-phenyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(5-phenyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-2-22-16(21)14-9-6-10-19(11-14)12-20-17(24)23-15(18-20)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3/p+1/t14-/m0/s1