ethyl 2,5-dimethyl-4-[2-(2-methylpyridin-1-ium-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(2-methylpyridin-1-ium-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-(2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C[N+]2=CC=CC=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)C[N+]2=CC=CC=C2C)C)C

InChI

InChI=1S/C17H20N2O3/c1-5-22-17(21)16-13(4)18-12(3)15(16)14(20)10-19-9-7-6-8-11(19)2/h6-9H,5,10H2,1-4H3/p+1