(4-cyano-2-fluoranyl-phenyl)methyl-pentan-3-yl-azanium

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl-pentan-3-yl-azanium Openeye Name: (4-cyano-2-fluoro-phenyl)methyl-(1-ethylpropyl)ammonium CAS Name: (4-cyano-2-fluorophenyl)methyl-pentan-3-ylammonium IUPAC Name: (4-cyano-2-fluorophenyl)methyl-pentan-3-ylazanium Traditional Name: (4-cyano-2-fluoro-benzyl)-(1-ethylpropyl)ammonium Formula: C13H18FN2+ MolecularWeight: 221.293823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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