[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-cyclooctyl-azanium

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-cyclooctyl-azanium Openeye Name: [4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-cyclooctyl-ammonium CAS Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-cyclooctylammonium IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-cyclooctylazanium Traditional Name: [4-(2-chloro-6-fluoro-benzyl)oxy-3-methoxy-benzyl]-cyclooctyl-ammonium Formula: C23H30ClFNO2+ MolecularWeight: 406.941203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C23H29ClFNO2/c1-27-23-14-17(15-26-18-8-5-3-2-4-6-9-18)12-13-22(23)28-16-19-20(24)10-7-11-21(19)25/h7,10-14,18,26H,2-6,8-9,15-16H2,1H3/p+1