1-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-piperonyl-4-[4-(trifluoromethyl)benzyl]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)OCO3)CC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)C(F)(F)F

InChI

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