(4-bromanyl-2-fluoranyl-phenyl)methyl-ethyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl-ethyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-bromo-2-fluoro-phenyl)methyl-ethyl-[2-(3-methoxyanilino)-2-oxo-ethyl]ammonium CAS Name: (4-bromo-2-fluorophenyl)methyl-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]ammonium IUPAC Name: (4-bromo-2-fluorophenyl)methyl-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium Traditional Name: (4-bromo-2-fluoro-benzyl)-ethyl-[2-keto-2-(m-anisidino)ethyl]ammonium Formula: C18H21BrFN2O2+ MolecularWeight: 396.273943

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=C(C=C1)Br)F)CC(=O)NC2=CC(=CC=C2)OC

Isomeric SMILES

CC[NH+](CC1=C(C=C(C=C1)Br)F)CC(=O)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C18H20BrFN2O2/c1-3-22(11-13-7-8-14(19)9-17(13)20)12-18(23)21-15-5-4-6-16(10-15)24-2/h4-10H,3,11-12H2,1-2H3,(H,21,23)/p+1