(3-bromanyl-4-fluoranyl-phenyl)methyl-[(2S)-butan-2-yl]azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[(2S)-butan-2-yl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[(2S)-butan-2-yl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[(2S)-butan-2-yl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C11H16BrFN+ MolecularWeight: 261.153843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15BrFN/c1-3-8(2)14-7-9-4-5-11(13)10(12)6-9/h4-6,8,14H,3,7H2,1-2H3/p+1/t8-/m0/s1