[3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-cycloheptyl-azanium

Systemtic Name: [3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-cycloheptyl-azanium Openeye Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-cycloheptyl-ammonium CAS Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-cycloheptylammonium IUPAC Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-cycloheptylazanium Traditional Name: [3-bromo-4-(3,4-dichlorobenzyl)oxy-5-methoxy-benzyl]-cycloheptyl-ammonium Formula: C22H27BrCl2NO2+ MolecularWeight: 488.26528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H26BrCl2NO2/c1-27-21-12-16(13-26-17-6-4-2-3-5-7-17)10-18(23)22(21)28-14-15-8-9-19(24)20(25)11-15/h8-12,17,26H,2-7,13-14H2,1H3/p+1