[3-(dimethylcarbamoyloxy)-1-methyl-pyridin-1-ium-2-yl]methyl 2,2-diphenylpropanoate iodide

Systemtic Name: [3-(dimethylcarbamoyloxy)-1-methyl-pyridin-1-ium-2-yl]methyl 2,2-diphenylpropanoate iodide Openeye Name: [3-(dimethylcarbamoyloxy)-1-methyl-pyridin-1-ium-2-yl]methyl 2,2-diphenylpropanoate iodide CAS Name: 2,2-diphenylpropanoic acid [3-[dimethylamino(oxo)methoxy]-1-methyl-2-pyridin-1-iumyl]methyl ester iodide IUPAC Name: [3-(dimethylcarbamoyloxy)-1-methylpyridin-1-ium-2-yl]methyl 2,2-diphenylpropanoate iodide Traditional Name: 2,2-diphenylpropionic acid [3-(dimethylcarbamoyloxy)-1-methyl-pyridin-1-ium-2-yl]methyl ester iodide Formula: C25H27IN2O4 MolecularWeight: 546.39735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=C(C=CC=[N+]3C)OC(=O)N(C)C.[I-]

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=C(C=CC=[N+]3C)OC(=O)N(C)C.[I-]

InChI

InChI=1S/C25H27N2O4.HI/c1-25(19-12-7-5-8-13-19,20-14-9-6-10-15-20)23(28)30-18-21-22(16-11-17-27(21)4)31-24(29)26(2)3;/h5-17H,18H2,1-4H3;1H/q+1;/p-1