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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium Traditional Name: 1-piperonyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium Formula: C18H19F3N3O2+ MolecularWeight: 366.35757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O2/c19-18(20,21)14-2-4-17(22-10-14)24-7-5-23(6-8-24)11-13-1-3-15-16(9-13)26-12-25-15/h1-4,9-10H,5-8,11-12H2/p+1