(4-cyano-2-fluoranyl-phenyl)methyl-(2-methylbutan-2-yl)azanium

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl-(2-methylbutan-2-yl)azanium Openeye Name: (4-cyano-2-fluoro-phenyl)methyl-(1,1-dimethylpropyl)ammonium CAS Name: (4-cyano-2-fluorophenyl)methyl-(2-methylbutan-2-yl)ammonium IUPAC Name: (4-cyano-2-fluorophenyl)methyl-(2-methylbutan-2-yl)azanium Traditional Name: tert-amyl-(4-cyano-2-fluoro-benzyl)ammonium Formula: C13H18FN2+ MolecularWeight: 221.293823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2/c1-4-13(2,3)16-9-11-6-5-10(8-15)7-12(11)14/h5-7,16H,4,9H2,1-3H3/p+1