(4-fluorophenyl)methyl-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (4-fluorophenyl)methyl-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (4-fluorophenyl)methyl-[(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]ammonium CAS Name: (4-fluorophenyl)methyl-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: (4-fluorophenyl)methyl-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium Traditional Name: (4-fluorobenzyl)-[(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]ammonium Formula: C12H17FN3O2+ MolecularWeight: 254.280683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)[NH2+]CC1=CC=C(C=C1)F

Isomeric SMILES

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

InChI

InChI=1S/C12H16FN3O2/c1-8(11(17)16-12(18)14-2)15-7-9-3-5-10(13)6-4-9/h3-6,8,15H,7H2,1-2H3,(H2,14,16,17,18)/p+1/t8-/m0/s1