5-(dimethylamino)-N-[2-[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethyl]naphthalene-1-sulfonamide

Systemtic Name: 5-(dimethylamino)-N-[2-[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethyl]naphthalene-1-sulfonamide Openeye Name: 5-(dimethylamino)-N-[2-[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethyl]naphthalene-1-sulfonamide CAS Name: 5-(dimethylamino)-N-[2-[[1-methyl-5-(trifluoromethyl)-2-pyridin-1-iumyl]thio]ethyl]-1-naphthalenesulfonamide IUPAC Name: 5-(dimethylamino)-N-[2-[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethyl]naphthalene-1-sulfonamide Traditional Name: 5-(dimethylamino)-N-[2-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]thio]ethyl]naphthalene-1-sulfonamide Formula: C21H23F3N3O2S2+ MolecularWeight: 470.55143

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC(=C1)C(F)(F)F)SCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

C[N+]1=C(C=CC(=C1)C(F)(F)F)SCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C21H23F3N3O2S2/c1-26(2)18-8-4-7-17-16(18)6-5-9-19(17)31(28,29)25-12-13-30-20-11-10-15(14-27(20)3)21(22,23)24/h4-11,14,25H,12-13H2,1-3H3/q+1