ethyl (2R)-1-(2-morpholin-4-yl-6-phenyl-pyridin-1-ium-3-yl)carbonylpiperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-(2-morpholin-4-yl-6-phenyl-pyridin-1-ium-3-yl)carbonylpiperidine-2-carboxylate Openeye Name: ethyl (2R)-1-(2-morpholino-6-phenyl-pyridin-1-ium-3-carbonyl)piperidine-2-carboxylate CAS Name: (2R)-1-[[2-(4-morpholinyl)-6-phenyl-3-pyridin-1-iumyl]-oxomethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-(2-morpholin-4-yl-6-phenylpyridin-1-ium-3-carbonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-(2-morpholino-6-phenyl-pyridin-1-ium-3-carbonyl)pipecolinic acid ethyl ester Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C2=C([NH+]=C(C=C2)C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)C2=C([NH+]=C(C=C2)C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C24H29N3O4/c1-2-31-24(29)21-10-6-7-13-27(21)23(28)19-11-12-20(18-8-4-3-5-9-18)25-22(19)26-14-16-30-17-15-26/h3-5,8-9,11-12,21H,2,6-7,10,13-17H2,1H3/p+1/t21-/m1/s1