1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C20H22F3N2O2+ MolecularWeight: 379.39609

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O2/c21-20(22,23)16-2-1-3-17(13-16)25-8-6-24(7-9-25)14-15-4-5-18-19(12-15)27-11-10-26-18/h1-5,12-13H,6-11,14H2/p+1