ethyl 1-(2-morpholin-4-ylpyridin-1-ium-4-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-morpholin-4-ylpyridin-1-ium-4-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(2-morpholinopyridin-1-ium-4-carbonyl)piperidine-4-carboxylate CAS Name: 1-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-morpholin-4-ylpyridin-1-ium-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-morpholinopyridin-1-ium-4-carbonyl)isonipecotic acid ethyl ester Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=[NH+]C=C2)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=[NH+]C=C2)N3CCOCC3

InChI

InChI=1S/C18H25N3O4/c1-2-25-18(23)14-4-7-21(8-5-14)17(22)15-3-6-19-16(13-15)20-9-11-24-12-10-20/h3,6,13-14H,2,4-5,7-12H2,1H3/p+1