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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F)Br

InChI

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