(3-bromanyl-4-fluoranyl-phenyl)methyl-[(1S)-1-(2-methylphenyl)ethyl]azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[(1S)-1-(2-methylphenyl)ethyl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[(1S)-1-(o-tolyl)ethyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[(1S)-1-(2-methylphenyl)ethyl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[(1S)-1-(2-methylphenyl)ethyl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[(1S)-1-(o-tolyl)ethyl]ammonium Formula: C16H18BrFN+ MolecularWeight: 323.223223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)[NH2+]CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)[NH2+]CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C16H17BrFN/c1-11-5-3-4-6-14(11)12(2)19-10-13-7-8-16(18)15(17)9-13/h3-9,12,19H,10H2,1-2H3/p+1/t12-/m0/s1