(5-cyano-2-fluoranyl-phenyl)methyl-(2-methylpropyl)azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-(2-methylpropyl)azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-isobutyl-ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-(2-methylpropyl)ammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-(2-methylpropyl)azanium Traditional Name: (5-cyano-2-fluoro-benzyl)-isobutyl-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/c1-9(2)7-15-8-11-5-10(6-14)3-4-12(11)13/h3-5,9,15H,7-8H2,1-2H3/p+1