[3-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [3-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [3-(4-bromo-2-fluoro-anilino)-3-oxo-propyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [3-(4-bromo-2-fluoro-anilino)-3-keto-propyl]-m-anisyl-methyl-ammonium Formula: C18H21BrFN2O2+ MolecularWeight: 396.273943

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=C(C=C1)Br)F)CC2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=C(C=C1)Br)F)CC2=CC(=CC=C2)OC

InChI

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