(2-bromanyl-4,5-dimethoxy-phenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl-[2-(3-fluorophenyl)ethyl]ammonium CAS Name: (2-bromo-4,5-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]ammonium IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-[2-(3-fluorophenyl)ethyl]ammonium Formula: C17H20BrFNO2+ MolecularWeight: 369.248603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]CCC2=CC(=CC=C2)F)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]CCC2=CC(=CC=C2)F)Br)OC

InChI

InChI=1S/C17H19BrFNO2/c1-21-16-9-13(15(18)10-17(16)22-2)11-20-7-6-12-4-3-5-14(19)8-12/h3-5,8-10,20H,6-7,11H2,1-2H3/p+1