N-(4-bromanyl-2-fluoranyl-phenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C16H23BrFN2O+ MolecularWeight: 358.269023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)NC2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCC(=O)NC2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C16H22BrFN2O/c1-11-7-12(2)10-20(9-11)6-5-16(21)19-15-4-3-13(17)8-14(15)18/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,19,21)/p+1/t11-,12-/m0/s1