1-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-piperonyl-4-[2-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C20H22F3N2O2+ MolecularWeight: 379.39609

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)CC3=CC4=C(C=C3)OCO4

InChI

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