(3-bromanyl-4-fluoranyl-phenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[(1S)-1,4-dimethylpentyl]ammonium Formula: C14H22BrFN+ MolecularWeight: 303.233583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrFN/c1-10(2)4-5-11(3)17-9-12-6-7-14(16)13(15)8-12/h6-8,10-11,17H,4-5,9H2,1-3H3/p+1/t11-/m0/s1