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

Systemtic Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]propane-1-sulfonamide Openeye Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]propane-1-sulfonamide CAS Name: N-[6-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-3-pyridin-1-iumyl]-1-propanesulfonamide IUPAC Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]propane-1-sulfonamide Traditional Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]pyridin-1-ium-3-yl]propane-1-sulfonamide Formula: C18H24F3N5O2S+2 MolecularWeight: 431.47567

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=C[NH+]=C(C=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCS(=O)(=O)NC1=C[NH+]=C(C=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H22F3N5O2S/c1-2-11-29(27,28)24-15-4-6-17(23-13-15)26-9-7-25(8-10-26)16-5-3-14(12-22-16)18(19,20)21/h3-6,12-13,24H,2,7-11H2,1H3/p+2