[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl]-[(1R)-1-methylolpropyl]ammonium Formula: C13H20FN2O2+ MolecularWeight: 255.308503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19FN2O2/c1-3-10(8-17)15-7-13(18)16-12-5-4-9(2)6-11(12)14/h4-6,10,15,17H,3,7-8H2,1-2H3,(H,16,18)/p+1/t10-/m1/s1