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

Systemtic Name: (5-aminocarbonyl-2-fluoranyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (5-carbamoyl-2-fluoro-phenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (5-carbamoyl-2-fluorophenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (5-carbamoyl-2-fluorophenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (5-carbamoyl-2-fluoro-benzyl)-[(1S)-1-methylbutyl]ammonium Formula: C13H20FN2O+ MolecularWeight: 239.309103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19FN2O/c1-3-4-9(2)16-8-11-7-10(13(15)17)5-6-12(11)14/h5-7,9,16H,3-4,8H2,1-2H3,(H2,15,17)/p+1/t9-/m0/s1