[(2S)-butan-2-yl]-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(2-fluoroanilino)-2-oxo-ethyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[2-(2-fluoroanilino)-2-oxoethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[2-(2-fluoroanilino)-2-oxoethyl]azanium Traditional Name: [2-(2-fluoroanilino)-2-keto-ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C12H18FN2O+ MolecularWeight: 225.282523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(=O)NC1=CC=CC=C1F

Isomeric SMILES

CC[C@H](C)[NH2+]CC(=O)NC1=CC=CC=C1F

InChI

InChI=1S/C12H17FN2O/c1-3-9(2)14-8-12(16)15-11-7-5-4-6-10(11)13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)/p+1/t9-/m0/s1