[3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-cycloheptyl-azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-cycloheptyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-cycloheptyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-cycloheptylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-cycloheptylazanium Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-cycloheptyl-ammonium Formula: C23H30BrFNO2+ MolecularWeight: 451.392203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H29BrFNO2/c1-2-27-22-14-18(15-26-20-7-5-3-4-6-8-20)13-21(24)23(22)28-16-17-9-11-19(25)12-10-17/h9-14,20,26H,2-8,15-16H2,1H3/p+1