3-[(2-fluorophenyl)-(3-methylphenyl)carbonyl-amino]propylazanium

Systemtic Name: 3-[(2-fluorophenyl)-(3-methylphenyl)carbonyl-amino]propylazanium Openeye Name: 3-(2-fluoro-N-(3-methylbenzoyl)anilino)propylammonium CAS Name: 3-(2-fluoro-N-[(3-methylphenyl)-oxomethyl]anilino)propylammonium IUPAC Name: 3-(2-fluoro-N-(3-methylbenzoyl)anilino)propylazanium Traditional Name: 3-(2-fluoro-N-m-toluoyl-anilino)propylammonium Formula: C17H20FN2O+ MolecularWeight: 287.351903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N(CCC[NH3+])C2=CC=CC=C2F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CCC[NH3+])C2=CC=CC=C2F

InChI

InChI=1S/C17H19FN2O/c1-13-6-4-7-14(12-13)17(21)20(11-5-10-19)16-9-3-2-8-15(16)18/h2-4,6-9,12H,5,10-11,19H2,1H3/p+1