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

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(4-fluorophenyl)methyl]azanium Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl]-[(4-fluorophenyl)methyl]ammonium CAS Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium Traditional Name: [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl]-(4-fluorobenzyl)ammonium Formula: C13H19FN3O2+ MolecularWeight: 268.307263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FN3O2/c1-3-15-13(19)17-12(18)9(2)16-8-10-4-6-11(14)7-5-10/h4-7,9,16H,3,8H2,1-2H3,(H2,15,17,18,19)/p+1/t9-/m0/s1