5-(dimethylamino)-N-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]naphthalene-1-sulfonamide

Systemtic Name: 5-(dimethylamino)-N-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]naphthalene-1-sulfonamide Openeye Name: 5-(dimethylamino)-N-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]naphthalene-1-sulfonamide CAS Name: 5-(dimethylamino)-N-[2-[(1,3-dimethyl-2-imidazol-1-iumyl)thio]ethyl]-1-naphthalenesulfonamide IUPAC Name: 5-(dimethylamino)-N-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]naphthalene-1-sulfonamide Traditional Name: 5-(dimethylamino)-N-[2-[(1,3-dimethylimidazol-1-ium-2-yl)thio]ethyl]naphthalene-1-sulfonamide Formula: C19H25N4O2S2+ MolecularWeight: 405.5574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1SCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C

Isomeric SMILES

CN1C=C[N+](=C1SCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C

InChI

InChI=1S/C19H25N4O2S2/c1-21(2)17-9-5-8-16-15(17)7-6-10-18(16)27(24,25)20-11-14-26-19-22(3)12-13-23(19)4/h5-10,12-13,20H,11,14H2,1-4H3/q+1