(5-cyano-2-fluoranyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (5-cyano-2-fluoro-benzyl)-[(1S)-1-methylbutyl]ammonium Formula: C13H18FN2+ MolecularWeight: 221.293823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2/c1-3-4-10(2)16-9-12-7-11(8-15)5-6-13(12)14/h5-7,10,16H,3-4,9H2,1-2H3/p+1/t10-/m0/s1