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

Systemtic Name: 3-[(3-fluorophenyl)-(2-methylpropanoyl)amino]propylazanium Openeye Name: 3-[3-fluoro-N-(2-methylpropanoyl)anilino]propylammonium CAS Name: 3-(3-fluoro-N-(2-methyl-1-oxopropyl)anilino)propylammonium IUPAC Name: 3-[3-fluoro-N-(2-methylpropanoyl)anilino]propylazanium Traditional Name: 3-(3-fluoro-N-isobutyryl-anilino)propylammonium Formula: C13H20FN2O+ MolecularWeight: 239.309103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19FN2O/c1-10(2)13(17)16(8-4-7-15)12-6-3-5-11(14)9-12/h3,5-6,9-10H,4,7-8,15H2,1-2H3/p+1