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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C18H16ClF3N3O3+ MolecularWeight: 414.78615

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15ClF3N3O3/c19-13-8-12(18(20,21)22)9-23-16(13)24-3-5-25(6-4-24)17(26)11-1-2-14-15(7-11)28-10-27-14/h1-2,7-9H,3-6,10H2/p+1