[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclohexyl-azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclohexyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclohexyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclohexylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclohexylazanium Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-cyclohexyl-ammonium Formula: C22H28BrFNO2+ MolecularWeight: 437.365623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Br)OCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C22H27BrFNO2/c1-2-26-21-13-16(14-25-18-9-4-3-5-10-18)12-19(23)22(21)27-15-17-8-6-7-11-20(17)24/h6-8,11-13,18,25H,2-5,9-10,14-15H2,1H3/p+1