(3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-N-[(1-phenylcyclopentyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)-N-[(1-phenylcyclopentyl)methyl]nipecotamide Formula: C25H38N3O3+ MolecularWeight: 428.58752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(CNC(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H37N3O3/c29-23-10-9-21(19-28(23)14-6-13-27-15-17-31-18-16-27)24(30)26-20-25(11-4-5-12-25)22-7-2-1-3-8-22/h1-3,7-8,21H,4-6,9-20H2,(H,26,30)/p+1/t21-/m0/s1