3-[3,4-bis(fluoranyl)phenyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-(3,4-difluorophenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(3,4-difluorophenyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(3,4-difluorophenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-(3,4-difluorophenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C22H27F2N2O+ MolecularWeight: 373.459386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C22H26F2N2O/c23-20-10-8-18(15-21(20)24)9-11-22(27)25-19-7-4-13-26(16-19)14-12-17-5-2-1-3-6-17/h1-3,5-6,8,10,15,19H,4,7,9,11-14,16H2,(H,25,27)/p+1/t19-/m0/s1