[5-bromanyl-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl-cycloheptyl-azanium

Systemtic Name: [5-bromanyl-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl-cycloheptyl-azanium Openeye Name: [5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl-cycloheptyl-ammonium CAS Name: [5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl-cycloheptylammonium IUPAC Name: [5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl-cycloheptylazanium Traditional Name: [5-bromo-2-(2,4-dichlorobenzyl)oxy-benzyl]-cycloheptyl-ammonium Formula: C21H25BrCl2NO+ MolecularWeight: 458.2393

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2=C(C=CC(=C2)Br)OCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=C(C=CC(=C2)Br)OCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H24BrCl2NO/c22-17-8-10-21(26-14-15-7-9-18(23)12-20(15)24)16(11-17)13-25-19-5-3-1-2-4-6-19/h7-12,19,25H,1-6,13-14H2/p+1