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

Systemtic Name: [5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]methyl-butyl-azanium Openeye Name: [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl-butyl-ammonium CAS Name: [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl-butylammonium IUPAC Name: [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl-butylazanium Traditional Name: [5-bromo-2-(2-fluorobenzyl)oxy-benzyl]-butyl-ammonium Formula: C18H22BrFNO+ MolecularWeight: 367.275783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrFNO/c1-2-3-10-21-12-15-11-16(19)8-9-18(15)22-13-14-6-4-5-7-17(14)20/h4-9,11,21H,2-3,10,12-13H2,1H3/p+1