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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Formula: C18H19F3N3O4S+ MolecularWeight: 430.42137

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H18F3N3O4S/c19-18(20,21)13-1-4-17(22-12-13)23-5-7-24(8-6-23)29(25,26)14-2-3-15-16(11-14)28-10-9-27-15/h1-4,11-12H,5-10H2/p+1