ethyl 4-(1-ethoxycarbonylpyridin-1-ium-4-yl)-2-methyl-pyridin-1-ium-1-carboxylate dichloride

Systemtic Name: ethyl 4-(1-ethoxycarbonylpyridin-1-ium-4-yl)-2-methyl-pyridin-1-ium-1-carboxylate dichloride Openeye Name: ethyl 4-(1-ethoxycarbonylpyridin-1-ium-4-yl)-2-methyl-pyridin-1-ium-1-carboxylate dichloride CAS Name: 4-(1-ethoxycarbonyl-4-pyridin-1-iumyl)-2-methyl-1-pyridin-1-iumcarboxylic acid ethyl ester dichloride IUPAC Name: ethyl 4-(1-ethoxycarbonylpyridin-1-ium-4-yl)-2-methylpyridin-1-ium-1-carboxylate dichloride Traditional Name: 4-(1-carbethoxypyridin-1-ium-4-yl)-2-methyl-pyridin-1-ium-1-carboxylic acid ethyl ester dichloride Formula: C17H20Cl2N2O4 MolecularWeight: 387.2577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1=CC=C(C=C1)C2=CC(=[N+](C=C2)C(=O)OCC)C.[Cl-].[Cl-]

Isomeric SMILES

CCOC(=O)[N+]1=CC=C(C=C1)C2=CC(=[N+](C=C2)C(=O)OCC)C.[Cl-].[Cl-]

InChI

InChI=1S/C17H20N2O4.2ClH/c1-4-22-16(20)18-9-6-14(7-10-18)15-8-11-19(13(3)12-15)17(21)23-5-2;;/h6-12H,4-5H2,1-3H3;2*1H/q+2;;/p-2