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

Systemtic Name: ethyl (3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C15H19N3O3S/c1-2-20-15(19)11-5-3-7-18(9-11)10-13-16-14(17-21-13)12-6-4-8-22-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3/p+1/t11-/m0/s1