ethyl 1-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-4-(2-phenoxyethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(1-oxidopyridin-1-ium-4-carbonyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-oxidopyridin-1-ium-4-carbonyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-(1-oxidopyridin-1-ium-4-carbonyl)-4-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=[N+](C=C2)[O-])CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=[N+](C=C2)[O-])CCOC3=CC=CC=C3

InChI

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