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

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-cyclooctyl-azanium Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-cyclooctyl-ammonium CAS Name: [4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-cyclooctylammonium IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-cyclooctylazanium Traditional Name: [4-(2-chloro-4-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=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClFNO2/c1-27-23-13-17(15-26-20-7-5-3-2-4-6-8-20)9-12-22(23)28-16-18-10-11-19(25)14-21(18)24/h9-14,20,26H,2-8,15-16H2,1H3/p+1