ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidine-3-carboxylate CAS Name: (3R)-3-[(3-methoxyphenyl)methyl]-1-[3-(4-morpholin-4-iumyl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidine-3-carboxylate Traditional Name: (3R)-3-m-anisyl-1-(3-morpholin-4-ium-4-ylpropanoyl)nipecotic acid ethyl ester Formula: C23H35N2O5+ MolecularWeight: 419.5344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CC[NH+]2CCOCC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)CC[NH+]2CCOCC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H34N2O5/c1-3-30-22(27)23(17-19-6-4-7-20(16-19)28-2)9-5-10-25(18-23)21(26)8-11-24-12-14-29-15-13-24/h4,6-7,16H,3,5,8-15,17-18H2,1-2H3/p+1/t23-/m1/s1