(5S)-1-[(3-fluorophenyl)methyl]-5-(4-morpholin-4-ium-4-ylpiperidin-1-yl)carbonyl-piperidin-2-one

Systemtic Name: (5S)-1-[(3-fluorophenyl)methyl]-5-(4-morpholin-4-ium-4-ylpiperidin-1-yl)carbonyl-piperidin-2-one Openeye Name: (5S)-1-[(3-fluorophenyl)methyl]-5-(4-morpholin-4-ium-4-ylpiperidine-1-carbonyl)piperidin-2-one CAS Name: (5S)-1-[(3-fluorophenyl)methyl]-5-[[4-(4-morpholin-4-iumyl)-1-piperidinyl]-oxomethyl]-2-piperidinone IUPAC Name: (5S)-1-[(3-fluorophenyl)methyl]-5-(4-morpholin-4-ium-4-ylpiperidine-1-carbonyl)piperidin-2-one Traditional Name: (5S)-1-(3-fluorobenzyl)-5-(4-morpholin-4-ium-4-ylpiperidine-1-carbonyl)-2-piperidone Formula: C22H31FN3O3+ MolecularWeight: 404.498243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)N2CCC(CC2)[NH+]3CCOCC3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)N2CCC(CC2)[NH+]3CCOCC3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H30FN3O3/c23-19-3-1-2-17(14-19)15-26-16-18(4-5-21(26)27)22(28)25-8-6-20(7-9-25)24-10-12-29-13-11-24/h1-3,14,18,20H,4-13,15-16H2/p+1/t18-/m0/s1