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

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]-(3-methylbutanoyl)amino]propylazanium Openeye Name: 3-[3,4-difluoro-N-(3-methylbutanoyl)anilino]propylammonium CAS Name: 3-(3,4-difluoro-N-(3-methyl-1-oxobutyl)anilino)propylammonium IUPAC Name: 3-[3,4-difluoro-N-(3-methylbutanoyl)anilino]propylazanium Traditional Name: 3-(3,4-difluoro-N-isovaleryl-anilino)propylammonium Formula: C14H21F2N2O+ MolecularWeight: 271.326146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20F2N2O/c1-10(2)8-14(19)18(7-3-6-17)11-4-5-12(15)13(16)9-11/h4-5,9-10H,3,6-8,17H2,1-2H3/p+1