(5S)-1-(3-morpholin-4-ium-4-ylpropyl)-5-[4-(phenylcarbonyl)piperidin-1-yl]carbonyl-piperidin-2-one

Systemtic Name: (5S)-1-(3-morpholin-4-ium-4-ylpropyl)-5-[4-(phenylcarbonyl)piperidin-1-yl]carbonyl-piperidin-2-one Openeye Name: (5S)-5-(4-benzoylpiperidine-1-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-2-one CAS Name: (5S)-5-[(4-benzoyl-1-piperidinyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-2-piperidinone IUPAC Name: (5S)-5-(4-benzoylpiperidine-1-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-2-one Traditional Name: (5S)-5-(4-benzoylpiperidine-1-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-2-piperidone Formula: C25H36N3O4+ MolecularWeight: 442.57104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)N2CCC(CC2)C(=O)C3=CC=CC=C3)CCC[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)N2CCC(CC2)C(=O)C3=CC=CC=C3)CCC[NH+]4CCOCC4

InChI

InChI=1S/C25H35N3O4/c29-23-8-7-22(19-28(23)12-4-11-26-15-17-32-18-16-26)25(31)27-13-9-21(10-14-27)24(30)20-5-2-1-3-6-20/h1-3,5-6,21-22H,4,7-19H2/p+1/t22-/m0/s1