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

Systemtic Name: [5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-methoxypropyl)azanium Openeye Name: [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-methoxypropyl)ammonium CAS Name: [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-methoxypropyl)ammonium IUPAC Name: [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-methoxypropyl)azanium Traditional Name: [5-bromo-2-(2-fluorobenzyl)oxy-benzyl]-(3-methoxypropyl)ammonium Formula: C18H22BrFNO2+ MolecularWeight: 383.275183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrFNO2/c1-22-10-4-9-21-12-15-11-16(19)7-8-18(15)23-13-14-5-2-3-6-17(14)20/h2-3,5-8,11,21H,4,9-10,12-13H2,1H3/p+1