tert-butyl-[(5-cyano-2-fluoranyl-phenyl)methyl]azanium

Systemtic Name: tert-butyl-[(5-cyano-2-fluoranyl-phenyl)methyl]azanium Openeye Name: tert-butyl-[(5-cyano-2-fluoro-phenyl)methyl]ammonium CAS Name: tert-butyl-[(5-cyano-2-fluorophenyl)methyl]ammonium IUPAC Name: tert-butyl-[(5-cyano-2-fluorophenyl)methyl]azanium Traditional Name: tert-butyl-(5-cyano-2-fluoro-benzyl)ammonium Formula: C12H16FN2+ MolecularWeight: 207.267243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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