methyl 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylate iodide

Systemtic Name: methyl 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylate iodide Openeye Name: methyl 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylate iodide CAS Name: 2,5-dimethyl-1-phenyl-3-pyrazol-2-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 2,5-dimethyl-1-phenylpyrazol-2-ium-3-carboxylate iodide Traditional Name: 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylic acid methyl ester iodide Formula: C13H15IN2O2 MolecularWeight: 358.17487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1C2=CC=CC=C2)C)C(=O)OC.[I-]

Isomeric SMILES

CC1=CC(=[N+](N1C2=CC=CC=C2)C)C(=O)OC.[I-]

InChI

InChI=1S/C13H15N2O2.HI/c1-10-9-12(13(16)17-3)14(2)15(10)11-7-5-4-6-8-11;/h4-9H,1-3H3;1H/q+1;/p-1