(5-bromanyl-2-fluoranyl-phenyl)methyl-[3-(2-methylpropoxy)propyl]azanium

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)methyl-[3-(2-methylpropoxy)propyl]azanium Openeye Name: (5-bromo-2-fluoro-phenyl)methyl-(3-isobutoxypropyl)ammonium CAS Name: (5-bromo-2-fluorophenyl)methyl-[3-(2-methylpropoxy)propyl]ammonium IUPAC Name: (5-bromo-2-fluorophenyl)methyl-[3-(2-methylpropoxy)propyl]azanium Traditional Name: (5-bromo-2-fluoro-benzyl)-(3-isobutoxypropyl)ammonium Formula: C14H22BrFNO+ MolecularWeight: 319.232983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrFNO/c1-11(2)10-18-7-3-6-17-9-12-8-13(15)4-5-14(12)16/h4-5,8,11,17H,3,6-7,9-10H2,1-2H3/p+1