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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C19H23BrFN2O2+ MolecularWeight: 410.300523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrFN2O2/c1-4-23(11-14-5-8-18(25-3)16(21)10-14)12-19(24)22-17-7-6-15(20)9-13(17)2/h5-10H,4,11-12H2,1-3H3,(H,22,24)/p+1