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

Systemtic Name: ethyl (3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-1-iumyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]nipecotic acid ethyl ester Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)C

InChI

InChI=1S/C16H20N4O3/c1-3-22-16(21)13-5-4-8-20(10-13)14-7-6-12(9-17-14)15-18-11(2)19-23-15/h6-7,9,13H,3-5,8,10H2,1-2H3/p+1/t13-/m0/s1