1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium diethanoate

Systemtic Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium diethanoate Openeye Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium diacetate CAS Name: 1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium diacetate IUPAC Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium diacetate Traditional Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium diacetate Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2.2C2H4O2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;2*1-2(3)4/h3-10H,1-2H3;2*1H3,(H,3,4)/q+2;;/p-2