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

Systemtic Name: [5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Openeye Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)ammonium CAS Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)ammonium IUPAC Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Traditional Name: [5-bromo-2-(4-fluorobenzyl)oxy-benzyl]-(3-butoxypropyl)ammonium Formula: C21H28BrFNO2+ MolecularWeight: 425.354923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrFNO2/c1-2-3-12-25-13-4-11-24-15-18-14-19(22)7-10-21(18)26-16-17-5-8-20(23)9-6-17/h5-10,14,24H,2-4,11-13,15-16H2,1H3/p+1