2-[[(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxidanylidene-piperidin-3-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxidanylidene-piperidin-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-piperidine-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1-[2-(3-fluorophenyl)ethyl]-6-keto-nipecotoyl]amino]ethyl-dimethyl-ammonium Formula: C18H27FN3O2+ MolecularWeight: 336.424283

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1CCC(=O)N(C1)CCC2=CC(=CC=C2)F

Isomeric SMILES

C[NH+](C)CCNC(=O)[C@H]1CCC(=O)N(C1)CCC2=CC(=CC=C2)F

InChI

InChI=1S/C18H26FN3O2/c1-21(2)11-9-20-18(24)15-6-7-17(23)22(13-15)10-8-14-4-3-5-16(19)12-14/h3-5,12,15H,6-11,13H2,1-2H3,(H,20,24)/p+1/t15-/m0/s1