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

Systemtic Name: ethyl (3S)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3/c1-2-22-17(21)14-9-6-10-20(11-14)12-15-18-19-16(23-15)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3/p+1/t14-/m0/s1