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

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-cycloheptyl-azanium Openeye Name: [4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-cycloheptyl-ammonium CAS Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-cycloheptylammonium IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-cycloheptylazanium Traditional Name: [4-(2-chloro-6-fluoro-benzyl)oxy-3-methoxy-benzyl]-cycloheptyl-ammonium Formula: C22H28ClFNO2+ MolecularWeight: 392.914623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCC2)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCC2)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H27ClFNO2/c1-26-22-13-16(14-25-17-7-4-2-3-5-8-17)11-12-21(22)27-15-18-19(23)9-6-10-20(18)24/h6,9-13,17,25H,2-5,7-8,14-15H2,1H3/p+1