5-(dimethylamino)-N-[2-(1-methylpyrimidin-1-ium-2-yl)sulfanylethyl]naphthalene-1-sulfonamide

Systemtic Name: 5-(dimethylamino)-N-[2-(1-methylpyrimidin-1-ium-2-yl)sulfanylethyl]naphthalene-1-sulfonamide Openeye Name: 5-(dimethylamino)-N-[2-(1-methylpyrimidin-1-ium-2-yl)sulfanylethyl]naphthalene-1-sulfonamide CAS Name: 5-(dimethylamino)-N-[2-[(1-methyl-2-pyrimidin-1-iumyl)thio]ethyl]-1-naphthalenesulfonamide IUPAC Name: 5-(dimethylamino)-N-[2-(1-methylpyrimidin-1-ium-2-yl)sulfanylethyl]naphthalene-1-sulfonamide Traditional Name: 5-(dimethylamino)-N-[2-[(1-methylpyrimidin-1-ium-2-yl)thio]ethyl]naphthalene-1-sulfonamide Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CN=C1SCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

C[N+]1=CC=CN=C1SCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C19H23N4O2S2/c1-22(2)17-9-4-8-16-15(17)7-5-10-18(16)27(24,25)21-12-14-26-19-20-11-6-13-23(19)3/h4-11,13,21H,12,14H2,1-3H3/q+1