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

Systemtic Name: [3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-cyclooctyl-azanium Openeye Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-cyclooctyl-ammonium CAS Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-cyclooctylammonium IUPAC Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-cyclooctylazanium Traditional Name: [3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]-cyclooctyl-ammonium Formula: C23H30BrFNO2+ MolecularWeight: 451.392203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H29BrFNO2/c1-27-22-14-18(15-26-20-7-5-3-2-4-6-8-20)13-21(24)23(22)28-16-17-9-11-19(25)12-10-17/h9-14,20,26H,2-8,15-16H2,1H3/p+1