(5-cyano-2-fluoranyl-phenyl)methyl-[(2S)-3-methylbutan-2-yl]azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-[(2S)-3-methylbutan-2-yl]azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-[(1S)-1,2-dimethylpropyl]ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]ammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]azanium Traditional Name: (5-cyano-2-fluoro-benzyl)-[(1S)-1,2-dimethylpropyl]ammonium Formula: C13H18FN2+ MolecularWeight: 221.293823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)[NH2+]CC1=C(C=CC(=C1)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2/c1-9(2)10(3)16-8-12-6-11(7-15)4-5-13(12)14/h4-6,9-10,16H,8H2,1-3H3/p+1/t10-/m0/s1