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

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[(1S)-1-methylbutyl]ammonium Formula: C12H18BrFN+ MolecularWeight: 275.180423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrFN/c1-3-4-9(2)15-8-10-5-6-12(14)11(13)7-10/h5-7,9,15H,3-4,8H2,1-2H3/p+1/t9-/m0/s1