3-[(2-fluorophenyl)-(4-methylphenyl)carbonyl-amino]propylazanium

Systemtic Name: 3-[(2-fluorophenyl)-(4-methylphenyl)carbonyl-amino]propylazanium Openeye Name: 3-(2-fluoro-N-(4-methylbenzoyl)anilino)propylammonium CAS Name: 3-(2-fluoro-N-[(4-methylphenyl)-oxomethyl]anilino)propylammonium IUPAC Name: 3-(2-fluoro-N-(4-methylbenzoyl)anilino)propylazanium Traditional Name: 3-(2-fluoro-N-p-toluoyl-anilino)propylammonium Formula: C17H20FN2O+ MolecularWeight: 287.351903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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