(5-cyano-2-fluoranyl-phenyl)methyl-(3-methylbutyl)azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-(3-methylbutyl)azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-isopentyl-ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-(3-methylbutyl)ammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-(3-methylbutyl)azanium Traditional Name: (5-cyano-2-fluoro-benzyl)-isoamyl-ammonium Formula: C13H18FN2+ MolecularWeight: 221.293823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2/c1-10(2)5-6-16-9-12-7-11(8-15)3-4-13(12)14/h3-4,7,10,16H,5-6,9H2,1-2H3/p+1