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

Systemtic Name: 3-[[(2S)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[(1S)-2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl]amino]propyl-dimethyl-ammonium Formula: C14H22ClFN3O+ MolecularWeight: 302.795383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)NCCC[NH+](C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)NCCC[NH+](C)C

InChI

InChI=1S/C14H21ClFN3O/c1-10(17-7-4-8-19(2)3)14(20)18-13-6-5-11(16)9-12(13)15/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,18,20)/p+1/t10-/m0/s1