ethyl 1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-3-(2-phenoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(1-oxidopyridin-1-ium-3-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: 1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-oxidopyridin-1-ium-3-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: 1-(1-oxidopyridin-1-ium-3-carbonyl)-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C[N+](=CC=C2)[O-])CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=C[N+](=CC=C2)[O-])CCOC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5/c1-2-28-21(26)22(12-15-29-19-9-4-3-5-10-19)11-7-13-23(17-22)20(25)18-8-6-14-24(27)16-18/h3-6,8-10,14,16H,2,7,11-13,15,17H2,1H3