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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-pentyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-pentyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-pentylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-pentylazanium Traditional Name: amyl-[3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]ammonium Formula: C21H28BrFNO2+ MolecularWeight: 425.354923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OCC

Isomeric SMILES

CCCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OCC

InChI

InChI=1S/C21H27BrFNO2/c1-3-5-6-11-24-14-17-12-19(22)21(20(13-17)25-4-2)26-15-16-7-9-18(23)10-8-16/h7-10,12-13,24H,3-6,11,14-15H2,1-2H3/p+1