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

Systemtic Name: ethyl 1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-nitropyridin-1-ium-2-yl)isonipecotic acid ethyl ester Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4/c1-2-20-13(17)10-5-7-15(8-6-10)12-4-3-11(9-14-12)16(18)19/h3-4,9-10H,2,5-8H2,1H3/p+1