[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(6-fluoranylquinolin-8-yl)methyl]-methyl-azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(6-fluoranylquinolin-8-yl)methyl]-methyl-azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-[(6-fluoro-8-quinolyl)methyl]-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(6-fluoro-8-quinolinyl)methyl]-methylammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(6-fluoroquinolin-8-yl)methyl]-methylazanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[(6-fluoro-8-quinolyl)methyl]-methyl-ammonium Formula: C20H20BrFN3O+ MolecularWeight: 417.294703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=C3C(=CC(=C2)F)C=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=C3C(=CC(=C2)F)C=CC=N3

InChI

InChI=1S/C20H19BrFN3O/c1-13-8-16(21)5-6-18(13)24-19(26)12-25(2)11-15-10-17(22)9-14-4-3-7-23-20(14)15/h3-10H,11-12H2,1-2H3,(H,24,26)/p+1