2-(4-fluorophenyl)ethyl-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]azanium

Systemtic Name: 2-(4-fluorophenyl)ethyl-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]azanium Openeye Name: 2-(4-fluorophenyl)ethyl-[(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]ammonium CAS Name: 2-(4-fluorophenyl)ethyl-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]ammonium IUPAC Name: 2-(4-fluorophenyl)ethyl-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]azanium Traditional Name: 2-(4-fluorophenyl)ethyl-[(1S)-2-keto-1-methyl-2-(propargylamino)ethyl]ammonium Formula: C14H18FN2O+ MolecularWeight: 249.303923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)[NH2+]CCC1=CC=C(C=C1)F

Isomeric SMILES

C[C@@H](C(=O)NCC#C)[NH2+]CCC1=CC=C(C=C1)F

InChI

InChI=1S/C14H17FN2O/c1-3-9-17-14(18)11(2)16-10-8-12-4-6-13(15)7-5-12/h1,4-7,11,16H,8-10H2,2H3,(H,17,18)/p+1/t11-/m0/s1