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

Systemtic Name: ethyl 1-(5-azanylpyridin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(5-aminopyridin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-(5-amino-2-pyridin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-aminopyridin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-aminopyridin-1-ium-2-yl)isonipecotic acid ethyl ester Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-2-18-13(17)10-5-7-16(8-6-10)12-4-3-11(14)9-15-12/h3-4,9-10H,2,5-8,14H2,1H3/p+1