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

Systemtic Name: [3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-cyclohexyl-azanium Openeye Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-cyclohexyl-ammonium CAS Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-cyclohexylammonium IUPAC Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-cyclohexylazanium Traditional Name: [3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]-cyclohexyl-ammonium Formula: C21H26BrFNO2+ MolecularWeight: 423.339043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25BrFNO2/c1-25-20-12-16(13-24-18-5-3-2-4-6-18)11-19(22)21(20)26-14-15-7-9-17(23)10-8-15/h7-12,18,24H,2-6,13-14H2,1H3/p+1