ethyl (3S)-1-(5-azanylpyridin-1-ium-2-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(5-azanylpyridin-1-ium-2-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(5-aminopyridin-1-ium-2-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(5-amino-2-pyridin-1-iumyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(5-aminopyridin-1-ium-2-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(5-aminopyridin-1-ium-2-yl)nipecotic acid ethyl ester Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=[NH+]C=C(C=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-2-18-13(17)10-4-3-7-16(9-10)12-6-5-11(14)8-15-12/h5-6,8,10H,2-4,7,9,14H2,1H3/p+1/t10-/m0/s1