4-bromanyl-2-fluoranyl-N-[2-fluoranyl-5-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]benzamide

Systemtic Name: 4-bromanyl-2-fluoranyl-N-[2-fluoranyl-5-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]benzamide Openeye Name: 4-bromo-2-fluoro-N-[2-fluoro-5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide CAS Name: 4-bromo-2-fluoro-N-[2-fluoro-5-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]phenyl]benzamide IUPAC Name: 4-bromo-2-fluoro-N-[2-fluoro-5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide Traditional Name: 4-bromo-2-fluoro-N-[2-fluoro-5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide Formula: C21H23BrF2N3O2+ MolecularWeight: 467.327026

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=CC(=C(C=C2)F)NC(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=CC(=C(C=C2)F)NC(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H22BrF2N3O2/c1-13-4-2-3-9-27(13)12-20(28)25-15-6-8-17(23)19(11-15)26-21(29)16-7-5-14(22)10-18(16)24/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,25,28)(H,26,29)/p+1/t13-/m0/s1