ethyl 7-(2-methoxyethoxymethyl)-2,3,3-trimethyl-pyrrolo[2,3-b]pyridin-7-ium-5-carboxylate

Systemtic Name: ethyl 7-(2-methoxyethoxymethyl)-2,3,3-trimethyl-pyrrolo[2,3-b]pyridin-7-ium-5-carboxylate Openeye Name: ethyl 7-(2-methoxyethoxymethyl)-2,3,3-trimethyl-pyrrolo[2,3-b]pyridin-7-ium-5-carboxylate CAS Name: 7-(2-methoxyethoxymethyl)-2,3,3-trimethyl-5-pyrrolo[2,3-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-methoxyethoxymethyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridin-7-ium-5-carboxylate Traditional Name: 7-(2-methoxyethoxymethyl)-2,3,3-trimethyl-pyrrolo[2,3-b]pyridin-7-ium-5-carboxylic acid ethyl ester Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N=C(C2(C)C)C)[N+](=C1)COCCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(N=C(C2(C)C)C)[N+](=C1)COCCOC

InChI

InChI=1S/C17H25N2O4/c1-6-23-16(20)13-9-14-15(18-12(2)17(14,3)4)19(10-13)11-22-8-7-21-5/h9-10H,6-8,11H2,1-5H3/q+1