(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]prop-2-enamide Openeye Name: (E)-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-3-(5-bromo-2-fluoro-phenyl)prop-2-enamide CAS Name: (E)-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-3-(5-bromo-2-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-3-(5-bromo-2-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-(5-bromo-2-fluoro-phenyl)acrylamide Formula: C22H24BrFN3O2+ MolecularWeight: 461.347263

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C=CC2=C(C=CC(=C2)Br)F)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)/C=C/C2=C(C=CC(=C2)Br)F)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H23BrFN3O2/c23-17-7-8-20(24)16(14-17)6-9-21(28)25-19-10-12-27(13-11-19)15-22(29)26-18-4-2-1-3-5-18/h1-9,14,19H,10-13,15H2,(H,25,28)(H,26,29)/p+1/b9-6+