ethyl (3R)-1-(3-morpholin-4-ium-4-ylpropanoyl)-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-(3-morpholin-4-ium-4-ylpropanoyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(3-morpholin-4-ium-4-ylpropanoyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: (3R)-1-[3-(4-morpholin-4-iumyl)-1-oxopropyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(3-morpholin-4-ium-4-ylpropanoyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: (3R)-1-(3-morpholin-4-ium-4-ylpropanoyl)-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C24H37N2O4+ MolecularWeight: 417.56158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CC[NH+]2CCOCC2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CC[NH+]2CCOCC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H36N2O4/c1-2-30-23(28)24(12-6-10-21-8-4-3-5-9-21)13-7-14-26(20-24)22(27)11-15-25-16-18-29-19-17-25/h3-5,8-9H,2,6-7,10-20H2,1H3/p+1/t24-/m1/s1