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

Systemtic Name: ethyl (3S)-1-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C2=NN=C(O2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C2=NN=C(O2)C3=CC=CS3

InChI

InChI=1S/C16H21N3O3S/c1-3-21-16(20)12-6-4-8-19(10-12)11(2)14-17-18-15(22-14)13-7-5-9-23-13/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3/p+1/t11-,12-/m0/s1