dimethyl sulfate; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium

Systemtic Name: dimethyl sulfate; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium Openeye Name: dimethyl sulfate; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium CAS Name: 1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium; sulfuric acid dimethyl ester IUPAC Name: dimethyl sulfate; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium Traditional Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; sulfuric acid dimethyl ester Formula: C14H20N2O4S+2 MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COS(=O)(=O)OC

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COS(=O)(=O)OC

InChI

InChI=1S/C12H14N2.C2H6O4S/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;1-5-7(3,4)6-2/h3-10H,1-2H3;1-2H3/q+2;