(3-chloranyl-4-fluoranyl-phenyl)-[(2S)-1-(diethylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (3-chloranyl-4-fluoranyl-phenyl)-[(2S)-1-(diethylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (3-chloro-4-fluoro-phenyl)-[(1S)-2-(diethylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: (3-chloro-4-fluorophenyl)-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: (3-chloro-4-fluorophenyl)-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]azanium Traditional Name: (3-chloro-4-fluoro-phenyl)-[(1S)-2-(diethylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C13H19ClFN2O+ MolecularWeight: 273.754163

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)[NH2+]C1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CCN(CC)C(=O)[C@H](C)[NH2+]C1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C13H18ClFN2O/c1-4-17(5-2)13(18)9(3)16-10-6-7-12(15)11(14)8-10/h6-9,16H,4-5H2,1-3H3/p+1/t9-/m0/s1