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

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)-(2,2-dimethylpropanoyl)amino]propylazanium Openeye Name: 3-[3-chloro-N-(2,2-dimethylpropanoyl)-4-fluoro-anilino]propylammonium CAS Name: 3-(3-chloro-N-(2,2-dimethyl-1-oxopropyl)-4-fluoroanilino)propylammonium IUPAC Name: 3-[3-chloro-N-(2,2-dimethylpropanoyl)-4-fluoroanilino]propylazanium Traditional Name: 3-(3-chloro-4-fluoro-N-pivaloyl-anilino)propylammonium Formula: C14H21ClFN2O+ MolecularWeight: 287.780743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClFN2O/c1-14(2,3)13(19)18(8-4-7-17)10-5-6-12(16)11(15)9-10/h5-6,9H,4,7-8,17H2,1-3H3/p+1