(3-bromanyl-4-fluoranyl-phenyl)methyl-[(3,4-dimethoxyphenyl)methyl]azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[(3,4-dimethoxyphenyl)methyl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[(3,4-dimethoxyphenyl)methyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[(3,4-dimethoxyphenyl)methyl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[(3,4-dimethoxyphenyl)methyl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-veratryl-ammonium Formula: C16H18BrFNO2+ MolecularWeight: 355.222023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC2=CC(=C(C=C2)F)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC2=CC(=C(C=C2)F)Br)OC

InChI

InChI=1S/C16H17BrFNO2/c1-20-15-6-4-12(8-16(15)21-2)10-19-9-11-3-5-14(18)13(17)7-11/h3-8,19H,9-10H2,1-2H3/p+1