methyl 1-methyl-6-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-methyl-6-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-methyl-6-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium-3-carboxylate CAS Name: 1-methyl-6-(1-pyridin-1-iumylmethyl)-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-6-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium-3-carboxylate Traditional Name: 1-methyl-6-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium-3-carboxylic acid methyl ester Formula: C14H16N2O2+2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC(=C1)C(=O)OC)C[N+]2=CC=CC=C2

Isomeric SMILES

C[N+]1=C(C=CC(=C1)C(=O)OC)C[N+]2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2/c1-15-10-12(14(17)18-2)6-7-13(15)11-16-8-4-3-5-9-16/h3-10H,11H2,1-2H3/q+2