dimethyl 5-(2-methylpyrazol-2-ium-1-yl)-4-phenyl-benzene-1,3-dicarboxylate iodide

Systemtic Name: dimethyl 5-(2-methylpyrazol-2-ium-1-yl)-4-phenyl-benzene-1,3-dicarboxylate iodide Openeye Name: dimethyl 5-(2-methylpyrazol-2-ium-1-yl)-4-phenyl-benzene-1,3-dicarboxylate iodide CAS Name: 5-(2-methyl-1-pyrazol-2-iumyl)-4-phenylbenzene-1,3-dicarboxylic acid dimethyl ester iodide IUPAC Name: dimethyl 5-(2-methylpyrazol-2-ium-1-yl)-4-phenylbenzene-1,3-dicarboxylate iodide Traditional Name: 5-(2-methylpyrazol-2-ium-1-yl)-4-phenyl-benzene-1,3-dicarboxylic acid dimethyl ester iodide Formula: C20H19IN2O4 MolecularWeight: 478.28033

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CN1C2=CC(=CC(=C2C3=CC=CC=C3)C(=O)OC)C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CN1C2=CC(=CC(=C2C3=CC=CC=C3)C(=O)OC)C(=O)OC.[I-]

InChI

InChI=1S/C20H19N2O4.HI/c1-21-10-7-11-22(21)17-13-15(19(23)25-2)12-16(20(24)26-3)18(17)14-8-5-4-6-9-14;/h4-13H,1-3H3;1H/q+1;/p-1