[(2S)-butan-2-yl]-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[2-(4-fluoroanilino)-2-oxoethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium Traditional Name: [2-(4-fluoroanilino)-2-keto-ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C12H18FN2O+ MolecularWeight: 225.282523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(=O)NC1=CC=C(C=C1)F

Isomeric SMILES

CC[C@H](C)[NH2+]CC(=O)NC1=CC=C(C=C1)F

InChI

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