2-adamantyl-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]azanium

Systemtic Name: 2-adamantyl-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: 2-adamantyl-[3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]ammonium Formula: C25H30BrFNO2+ MolecularWeight: 475.413603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Br)OCC5=CC=C(C=C5)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Br)OCC5=CC=C(C=C5)F

InChI

InChI=1S/C25H29BrFNO2/c1-29-23-12-18(11-22(26)25(23)30-14-15-2-4-21(27)5-3-15)13-28-24-19-7-16-6-17(9-19)10-20(24)8-16/h2-5,11-12,16-17,19-20,24,28H,6-10,13-14H2,1H3/p+1