3-[(2-methylphenyl)carbonyl-[3-(trifluoromethyl)phenyl]amino]propylazanium

Systemtic Name: 3-[(2-methylphenyl)carbonyl-[3-(trifluoromethyl)phenyl]amino]propylazanium Openeye Name: 3-[N-(2-methylbenzoyl)-3-(trifluoromethyl)anilino]propylammonium CAS Name: 3-[N-[(2-methylphenyl)-oxomethyl]-3-(trifluoromethyl)anilino]propylammonium IUPAC Name: 3-[N-(2-methylbenzoyl)-3-(trifluoromethyl)anilino]propylazanium Traditional Name: 3-[N-o-toluoyl-3-(trifluoromethyl)anilino]propylammonium Formula: C18H20F3N2O+ MolecularWeight: 337.35941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N2O/c1-13-6-2-3-9-16(13)17(24)23(11-5-10-22)15-8-4-7-14(12-15)18(19,20)21/h2-4,6-9,12H,5,10-11,22H2,1H3/p+1