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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[3-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]methanone Formula: C20H20F3N2O3+ MolecularWeight: 393.37961

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19F3N2O3/c21-20(22,23)16-3-1-2-14(10-16)12-24-6-8-25(9-7-24)19(26)15-4-5-17-18(11-15)28-13-27-17/h1-5,10-11H,6-9,12-13H2/p+1