ethyl 1-(5-methanoylpyridin-1-ium-2-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-methanoylpyridin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(5-formylpyridin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-(5-formyl-2-pyridin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-formylpyridin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-formylpyridin-1-ium-2-yl)isonipecotic acid ethyl ester Formula: C14H19N2O3+ MolecularWeight: 263.31226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=[NH+]C=C(C=C2)C=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=[NH+]C=C(C=C2)C=O

InChI

InChI=1S/C14H18N2O3/c1-2-19-14(18)12-5-7-16(8-6-12)13-4-3-11(10-17)9-15-13/h3-4,9-10,12H,2,5-8H2,1H3/p+1