3-[(2-fluorophenyl)-(3-methylbutanoyl)amino]propylazanium

Systemtic Name: 3-[(2-fluorophenyl)-(3-methylbutanoyl)amino]propylazanium Openeye Name: 3-[2-fluoro-N-(3-methylbutanoyl)anilino]propylammonium CAS Name: 3-(2-fluoro-N-(3-methyl-1-oxobutyl)anilino)propylammonium IUPAC Name: 3-[2-fluoro-N-(3-methylbutanoyl)anilino]propylazanium Traditional Name: 3-(2-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=C1F

Isomeric SMILES

CC(C)CC(=O)N(CCC[NH3+])C1=CC=CC=C1F

InChI

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