(5-bromanyl-2-fluoranyl-phenyl)methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: (5-bromo-2-fluoro-phenyl)methyl-[(2,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: (5-bromo-2-fluorophenyl)methyl-[(2,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: (5-bromo-2-fluorophenyl)methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: (5-bromo-2-fluoro-benzyl)-(2,4,5-trimethoxybenzyl)ammonium Formula: C17H20BrFNO3+ MolecularWeight: 385.248003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH2+]CC2=C(C=CC(=C2)Br)F)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH2+]CC2=C(C=CC(=C2)Br)F)OC)OC

InChI

InChI=1S/C17H19BrFNO3/c1-21-15-8-17(23-3)16(22-2)7-12(15)10-20-9-11-6-13(18)4-5-14(11)19/h4-8,20H,9-10H2,1-3H3/p+1