N,N-diethyl-6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]pyridin-1-ium-3-sulfonamide Formula: C19H26F3N5O2S+2 MolecularWeight: 445.50225

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H24F3N5O2S/c1-3-27(4-2)30(28,29)16-6-8-18(24-14-16)26-11-9-25(10-12-26)17-7-5-15(13-23-17)19(20,21)22/h5-8,13-14H,3-4,9-12H2,1-2H3/p+2