(3-fluorophenyl)methyl-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]azanium

Systemtic Name: (3-fluorophenyl)methyl-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]azanium Openeye Name: (3-fluorophenyl)methyl-[(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]ammonium CAS Name: (3-fluorophenyl)methyl-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]ammonium IUPAC Name: (3-fluorophenyl)methyl-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]azanium Traditional Name: (3-fluorobenzyl)-[(1S)-2-keto-1-methyl-2-(propargylamino)ethyl]ammonium Formula: C13H16FN2O+ MolecularWeight: 235.277343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN2O/c1-3-7-15-13(17)10(2)16-9-11-5-4-6-12(14)8-11/h1,4-6,8,10,16H,7,9H2,2H3,(H,15,17)/p+1/t10-/m0/s1