dimethyl 1,2,6-trimethyl-4-pyridin-1-ium-2-yl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1,2,6-trimethyl-4-pyridin-1-ium-2-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1,2,6-trimethyl-4-pyridin-1-ium-2-yl-4H-pyridine-3,5-dicarboxylate CAS Name: 1,2,6-trimethyl-4-(2-pyridin-1-iumyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,2,6-trimethyl-4-pyridin-1-ium-2-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1,2,6-trimethyl-4-pyridin-1-ium-2-yl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=CC=CC=[NH+]2)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=CC=CC=[NH+]2)C(=O)OC

InChI

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