1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Formula: C19H22F3N3O2+2 MolecularWeight: 381.39209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N3O2/c20-19(21,22)15-2-4-18(23-12-15)25-7-5-24(6-8-25)13-14-1-3-16-17(11-14)27-10-9-26-16/h1-4,11-12H,5-10,13H2/p+2