3-[[(1S)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(1S)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]amino]propyl-dimethyl-ammonium Formula: C13H21ClFN2+ MolecularWeight: 259.770643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClFN2/c1-10(16-7-4-8-17(2)3)11-5-6-13(15)12(14)9-11/h5-6,9-10,16H,4,7-8H2,1-3H3/p+1/t10-/m0/s1