3-[(3-fluorophenyl)-(3-methylbutanoyl)amino]propylazanium

Systemtic Name: 3-[(3-fluorophenyl)-(3-methylbutanoyl)amino]propylazanium Openeye Name: 3-[3-fluoro-N-(3-methylbutanoyl)anilino]propylammonium CAS Name: 3-(3-fluoro-N-(3-methyl-1-oxobutyl)anilino)propylammonium IUPAC Name: 3-[3-fluoro-N-(3-methylbutanoyl)anilino]propylazanium Traditional Name: 3-(3-fluoro-N-isovaleryl-anilino)propylammonium Formula: C14H22FN2O+ MolecularWeight: 253.335683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21FN2O/c1-11(2)9-14(18)17(8-4-7-16)13-6-3-5-12(15)10-13/h3,5-6,10-11H,4,7-9,16H2,1-2H3/p+1