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

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-cyclohexyl-azanium Openeye Name: [2-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-cyclohexyl-ammonium CAS Name: [2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylammonium IUPAC Name: [2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium Traditional Name: [2-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]-cyclohexyl-ammonium Formula: C21H26ClFNO2+ MolecularWeight: 378.888043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)F)Cl)C[NH2+]C3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)F)Cl)C[NH2+]C3CCCCC3

InChI

InChI=1S/C21H25ClFNO2/c1-25-20-9-5-6-15(13-24-18-7-3-2-4-8-18)21(20)26-14-16-10-11-17(23)12-19(16)22/h5-6,9-12,18,24H,2-4,7-8,13-14H2,1H3/p+1