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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)F)Cl)C[NH2+]C3CCCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)F)Cl)C[NH2+]C3CCCCCCC3

InChI

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