ethyl (3R)-1-[2-(5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-3-yl)ethanoyl]-3-phenethyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-(5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-3-yl)ethanoyl]-3-phenethyl-piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[2-(5-oxo-2H-oxadiazol-3-ium-3-yl)acetyl]-3-phenethyl-piperidine-3-carboxylate CAS Name: (3R)-1-[1-oxo-2-(5-oxo-2H-oxadiazol-3-ium-3-yl)ethyl]-3-phenethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-(5-oxo-2H-oxadiazol-3-ium-3-yl)acetyl]-3-phenethylpiperidine-3-carboxylate Traditional Name: (3R)-1-[2-(5-keto-2H-oxadiazol-3-ium-3-yl)acetyl]-3-phenethyl-nipecotic acid ethyl ester Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C[N+]2=CC(=O)ON2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C[N+]2=CC(=O)ON2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O5/c1-2-27-19(26)20(11-9-16-7-4-3-5-8-16)10-6-12-22(15-20)17(24)13-23-14-18(25)28-21-23/h3-5,7-8,14H,2,6,9-13,15H2,1H3/p+1/t20-/m0/s1