(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3R)-6-keto-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CC(CCC2=O)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C[C@@H](CCC2=O)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H33N3O4/c1-28-20-6-3-18(4-7-20)9-12-25-17-19(5-8-21(25)26)22(27)23-10-2-11-24-13-15-29-16-14-24/h3-4,6-7,19H,2,5,8-17H2,1H3,(H,23,27)/p+1/t19-/m1/s1