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

Systemtic Name: [(2S)-butan-2-yl]-[(4-cyano-2-fluoranyl-phenyl)methyl]azanium Openeye Name: (4-cyano-2-fluoro-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(4-cyano-2-fluorophenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(4-cyano-2-fluorophenyl)methyl]azanium Traditional Name: (4-cyano-2-fluoro-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C12H16FN2+ MolecularWeight: 207.267243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FN2/c1-3-9(2)15-8-11-5-4-10(7-14)6-12(11)13/h4-6,9,15H,3,8H2,1-2H3/p+1/t9-/m0/s1