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

Systemtic Name: (4-fluorophenyl)methyl-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]azanium Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]-[(4-fluorophenyl)methyl]ammonium CAS Name: (4-fluorophenyl)methyl-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]ammonium IUPAC Name: (4-fluorophenyl)methyl-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl]-(4-fluorobenzyl)ammonium Formula: C13H18FN2O+ MolecularWeight: 237.293223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2O/c1-3-8-15-13(17)10(2)16-9-11-4-6-12(14)7-5-11/h3-7,10,16H,1,8-9H2,2H3,(H,15,17)/p+1/t10-/m0/s1