2,3-dimethoxy-5-(2-methylpyridin-1-ium-1-yl)sulfanyl-naphthalene-1,4-dione; methyl sulfate

Systemtic Name: 2,3-dimethoxy-5-(2-methylpyridin-1-ium-1-yl)sulfanyl-naphthalene-1,4-dione; methyl sulfate Openeye Name: 2,3-dimethoxy-5-(2-methylpyridin-1-ium-1-yl)sulfanyl-naphthalene-1,4-dione; methyl sulfate CAS Name: 2,3-dimethoxy-5-[(2-methyl-1-pyridin-1-iumyl)thio]naphthalene-1,4-dione; methyl sulfate IUPAC Name: 2,3-dimethoxy-5-(2-methylpyridin-1-ium-1-yl)sulfanylnaphthalene-1,4-dione; methyl sulfate Traditional Name: 2,3-dimethoxy-5-[(2-methylpyridin-1-ium-1-yl)thio]-1,4-naphthoquinone; methyl sulfate Formula: C19H19NO8S2 MolecularWeight: 453.48606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1SC2=CC=CC3=C2C(=O)C(=C(C3=O)OC)OC.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=[N+]1SC2=CC=CC3=C2C(=O)C(=C(C3=O)OC)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H16NO4S.CH4O4S/c1-11-7-4-5-10-19(11)24-13-9-6-8-12-14(13)16(21)18(23-3)17(22-2)15(12)20;1-5-6(2,3)4/h4-10H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1