2-[4-ethoxycarbonyl-5-methyl-2-(phenylmethyl)pyrazol-3-yl]oxyethyl-trimethyl-azanium iodide

Systemtic Name: 2-[4-ethoxycarbonyl-5-methyl-2-(phenylmethyl)pyrazol-3-yl]oxyethyl-trimethyl-azanium iodide Openeye Name: 2-(2-benzyl-4-ethoxycarbonyl-5-methyl-pyrazol-3-yl)oxyethyl-trimethyl-ammonium iodide CAS Name: 2-[[4-ethoxycarbonyl-5-methyl-2-(phenylmethyl)-3-pyrazolyl]oxy]ethyl-trimethylammonium iodide IUPAC Name: 2-(2-benzyl-4-ethoxycarbonyl-5-methylpyrazol-3-yl)oxyethyl-trimethylazanium iodide Traditional Name: 2-(2-benzyl-4-carbethoxy-5-methyl-pyrazol-3-yl)oxyethyl-trimethyl-ammonium iodide Formula: C19H28IN3O3 MolecularWeight: 473.34839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)OCC[N+](C)(C)C.[I-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)OCC[N+](C)(C)C.[I-]

InChI

InChI=1S/C19H28N3O3.HI/c1-6-24-19(23)17-15(2)20-21(14-16-10-8-7-9-11-16)18(17)25-13-12-22(3,4)5;/h7-11H,6,12-14H2,1-5H3;1H/q+1;/p-1