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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-[(2S)-pentan-2-yl]azanium Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl]-[(1S)-1-methylbutyl]ammonium CAS Name: [2-(4-fluoroanilino)-2-oxoethyl]-[(2S)-pentan-2-yl]ammonium IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl]-[(2S)-pentan-2-yl]azanium Traditional Name: [2-(4-fluoroanilino)-2-keto-ethyl]-[(1S)-1-methylbutyl]ammonium Formula: C13H20FN2O+ MolecularWeight: 239.309103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19FN2O/c1-3-4-10(2)15-9-13(17)16-12-7-5-11(14)6-8-12/h5-8,10,15H,3-4,9H2,1-2H3,(H,16,17)/p+1/t10-/m0/s1