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

Systemtic Name: [5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Openeye Name: [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)ammonium CAS Name: [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)ammonium IUPAC Name: [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Traditional Name: [5-bromo-2-(2-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=CC=C2F

Isomeric SMILES

CCCCOCCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2F

InChI

InChI=1S/C21H27BrFNO2/c1-2-3-12-25-13-6-11-24-15-18-14-19(22)9-10-21(18)26-16-17-7-4-5-8-20(17)23/h4-5,7-10,14,24H,2-3,6,11-13,15-16H2,1H3/p+1