ethyl 1-(3-methanoylpyridin-1-ium-2-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-methanoylpyridin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(3-formylpyridin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-(3-formyl-2-pyridin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-formylpyridin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-(3-formylpyridin-1-ium-2-yl)isonipecotic acid ethyl ester Formula: C14H19N2O3+ MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC=[NH+]2)C=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC=[NH+]2)C=O

InChI

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