dimethyl 2,5-dimethyl-1-(pyridin-1-ium-3-ylmethyl)pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2,5-dimethyl-1-(pyridin-1-ium-3-ylmethyl)pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2,5-dimethyl-1-(pyridin-1-ium-3-ylmethyl)pyrrole-3,4-dicarboxylate CAS Name: 2,5-dimethyl-1-(3-pyridin-1-iumylmethyl)pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,5-dimethyl-1-(pyridin-1-ium-3-ylmethyl)pyrrole-3,4-dicarboxylate Traditional Name: 2,5-dimethyl-1-(pyridin-1-ium-3-ylmethyl)pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C16H19N2O4+ MolecularWeight: 303.33306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=C[NH+]=CC=C2)C)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1CC2=C[NH+]=CC=C2)C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H18N2O4/c1-10-13(15(19)21-3)14(16(20)22-4)11(2)18(10)9-12-6-5-7-17-8-12/h5-8H,9H2,1-4H3/p+1