methyl 5-[(2,3,5-trimethylpyrazol-2-ium-1-yl)methyl]furan-2-carboxylate iodide

Systemtic Name: methyl 5-[(2,3,5-trimethylpyrazol-2-ium-1-yl)methyl]furan-2-carboxylate iodide Openeye Name: methyl 5-[(2,3,5-trimethylpyrazol-2-ium-1-yl)methyl]furan-2-carboxylate iodide CAS Name: 5-[(2,3,5-trimethyl-1-pyrazol-2-iumyl)methyl]-2-furancarboxylic acid methyl ester iodide IUPAC Name: methyl 5-[(2,3,5-trimethylpyrazol-2-ium-1-yl)methyl]furan-2-carboxylate iodide Traditional Name: 5-[(2,3,5-trimethylpyrazol-2-ium-1-yl)methyl]furan-2-carboxylic acid methyl ester iodide Formula: C13H17IN2O3 MolecularWeight: 376.19015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1CC2=CC=C(O2)C(=O)OC)C)C.[I-]

Isomeric SMILES

CC1=CC(=[N+](N1CC2=CC=C(O2)C(=O)OC)C)C.[I-]

InChI

InChI=1S/C13H17N2O3.HI/c1-9-7-10(2)15(14(9)3)8-11-5-6-12(18-11)13(16)17-4;/h5-7H,8H2,1-4H3;1H/q+1;/p-1