2-(4-bromanylphenoxy)ethyl-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(4-bromophenoxy)ethyl-[2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-bromophenoxy)ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: 2-(4-bromophenoxy)ethyl-[2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C18H21BrFN2O2+ MolecularWeight: 396.273943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)Br)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)Br)F

InChI

InChI=1S/C18H20BrFN2O2/c1-13-3-8-17(16(20)11-13)21-18(23)12-22(2)9-10-24-15-6-4-14(19)5-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)/p+1