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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CCC[NH3+])C2=CC(=CC=C2)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CCC[NH3+])C2=CC(=CC=C2)F

InChI

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