2-[(3-chloranyl-4-fluoranyl-phenyl)-(2,2-dimethylpropanoyl)amino]ethylazanium

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)-(2,2-dimethylpropanoyl)amino]ethylazanium Openeye Name: 2-[3-chloro-N-(2,2-dimethylpropanoyl)-4-fluoro-anilino]ethylammonium CAS Name: 2-(3-chloro-N-(2,2-dimethyl-1-oxopropyl)-4-fluoroanilino)ethylammonium IUPAC Name: 2-[3-chloro-N-(2,2-dimethylpropanoyl)-4-fluoroanilino]ethylazanium Traditional Name: 2-(3-chloro-4-fluoro-N-pivaloyl-anilino)ethylammonium Formula: C13H19ClFN2O+ MolecularWeight: 273.754163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N(CC[NH3+])C1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CC(C)(C)C(=O)N(CC[NH3+])C1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C13H18ClFN2O/c1-13(2,3)12(18)17(7-6-16)9-4-5-11(15)10(14)8-9/h4-5,8H,6-7,16H2,1-3H3/p+1