3-[(3-chloranyl-4-fluoranyl-phenyl)-(3-methylbutanoyl)amino]propylazanium

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)-(3-methylbutanoyl)amino]propylazanium Openeye Name: 3-[3-chloro-4-fluoro-N-(3-methylbutanoyl)anilino]propylammonium CAS Name: 3-(3-chloro-4-fluoro-N-(3-methyl-1-oxobutyl)anilino)propylammonium IUPAC Name: 3-[3-chloro-4-fluoro-N-(3-methylbutanoyl)anilino]propylazanium Traditional Name: 3-(3-chloro-4-fluoro-N-isovaleryl-anilino)propylammonium Formula: C14H21ClFN2O+ MolecularWeight: 287.780743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClFN2O/c1-10(2)8-14(19)18(7-3-6-17)11-4-5-13(16)12(15)9-11/h4-5,9-10H,3,6-8,17H2,1-2H3/p+1