[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium Openeye Name: benzhydryl-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]ammonium CAS Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-(diphenylmethyl)ammonium IUPAC Name: benzhydryl-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]azanium Traditional Name: benzhydryl-[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]ammonium Formula: C21H19BrFN2O+ MolecularWeight: 414.290763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H18BrFN2O/c22-17-11-12-19(18(23)13-17)25-20(26)14-24-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21,24H,14H2,(H,25,26)/p+1