[4-[2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl]phenyl] 2,2-dimethylpropanoate iodide

Systemtic Name: [4-[2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl]phenyl] 2,2-dimethylpropanoate iodide Openeye Name: [4-[2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl]phenyl] 2,2-dimethylpropanoate iodide CAS Name: 2,2-dimethylpropanoic acid [4-[2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl]phenyl] ester iodide IUPAC Name: [4-[2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl]phenyl] 2,2-dimethylpropanoate iodide Traditional Name: 2,2-dimethylpropionic acid [4-[2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl]phenyl] ester iodide Formula: C20H25IN2O3 MolecularWeight: 468.32857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC=C(C=C1)CCNC(=O)C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC=C(C=C1)CCNC(=O)C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C20H24N2O3.HI/c1-20(2,3)19(24)25-17-9-7-15(8-10-17)11-12-21-18(23)16-6-5-13-22(4)14-16;/h5-10,13-14H,11-12H2,1-4H3;1H