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

Systemtic Name: [4-[bis(fluoranyl)methoxy]phenyl]methyl-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[4-(difluoromethoxy)benzyl]-methyl-ammonium Formula: C18H20BrF2N2O2+ MolecularWeight: 414.264406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrF2N2O2/c1-12-9-14(19)5-8-16(12)22-17(24)11-23(2)10-13-3-6-15(7-4-13)25-18(20)21/h3-9,18H,10-11H2,1-2H3,(H,22,24)/p+1