3-[(3-chlorophenyl)methyl-(4-fluorophenyl)amino]propylazanium

Systemtic Name: 3-[(3-chlorophenyl)methyl-(4-fluorophenyl)amino]propylazanium Openeye Name: 3-[N-[(3-chlorophenyl)methyl]-4-fluoro-anilino]propylammonium CAS Name: 3-[N-[(3-chlorophenyl)methyl]-4-fluoroanilino]propylammonium IUPAC Name: 3-[N-[(3-chlorophenyl)methyl]-4-fluoroanilino]propylazanium Traditional Name: 3-(N-(3-chlorobenzyl)-4-fluoro-anilino)propylammonium Formula: C16H19ClFN2+ MolecularWeight: 293.786863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CN(CCC[NH3+])C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CN(CCC[NH3+])C2=CC=C(C=C2)F

InChI

InChI=1S/C16H18ClFN2/c17-14-4-1-3-13(11-14)12-20(10-2-9-19)16-7-5-15(18)6-8-16/h1,3-8,11H,2,9-10,12,19H2/p+1