(4-aminocarbonyl-2-fluoranyl-phenyl)methyl-[(2S)-butan-2-yl]azanium

Systemtic Name: (4-aminocarbonyl-2-fluoranyl-phenyl)methyl-[(2S)-butan-2-yl]azanium Openeye Name: (4-carbamoyl-2-fluoro-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(4-carbamoyl-2-fluorophenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(4-carbamoyl-2-fluorophenyl)methyl]azanium Traditional Name: (4-carbamoyl-2-fluoro-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C12H18FN2O+ MolecularWeight: 225.282523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17FN2O/c1-3-8(2)15-7-10-5-4-9(12(14)16)6-11(10)13/h4-6,8,15H,3,7H2,1-2H3,(H2,14,16)/p+1/t8-/m0/s1