6-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]pyridin-1-ium-3-sulfonamide Formula: C13H15ClF3N5O2S+2 MolecularWeight: 397.80371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=[NH+]C=C1S(=O)(=O)N)NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=[NH+]C=C1S(=O)(=O)N)NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C13H13ClF3N5O2S/c14-10-5-8(13(15,16)17)6-22-12(10)20-4-3-19-11-2-1-9(7-21-11)25(18,23)24/h1-2,5-7H,3-4H2,(H,19,21)(H,20,22)(H2,18,23,24)/p+2