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

Systemtic Name: 3-[butanoyl-(3-chloranyl-4-fluoranyl-phenyl)amino]propylazanium Openeye Name: 3-(N-butanoyl-3-chloro-4-fluoro-anilino)propylammonium CAS Name: 3-[3-chloro-4-fluoro-N-(1-oxobutyl)anilino]propylammonium IUPAC Name: 3-(N-butanoyl-3-chloro-4-fluoroanilino)propylazanium Traditional Name: 3-(N-butyryl-3-chloro-4-fluoro-anilino)propylammonium Formula: C13H19ClFN2O+ MolecularWeight: 273.754163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClFN2O/c1-2-4-13(18)17(8-3-7-16)10-5-6-12(15)11(14)9-10/h5-6,9H,2-4,7-8,16H2,1H3/p+1