[2,3-bis(fluoranyl)phenyl]methyl-phenethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [2,3-bis(fluoranyl)phenyl]methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: (2,3-difluorophenyl)methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: (2,3-difluorophenyl)methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (2,3-difluorophenyl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (2,3-difluorobenzyl)-phenethyl-(4-pyridylmethyl)ammonium Formula: C21H21F2N2+ MolecularWeight: 339.401646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CC2=CC=NC=C2)CC3=C(C(=CC=C3)F)F

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](CC2=CC=NC=C2)CC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C21H20F2N2/c22-20-8-4-7-19(21(20)23)16-25(15-18-9-12-24-13-10-18)14-11-17-5-2-1-3-6-17/h1-10,12-13H,11,14-16H2/p+1