1-[2-[1-(4-methoxyphenyl)-2,2-dimethyl-propoxy]ethyl]-1-methyl-piperidin-1-ium iodide

Systemtic Name: 1-[2-[1-(4-methoxyphenyl)-2,2-dimethyl-propoxy]ethyl]-1-methyl-piperidin-1-ium iodide Openeye Name: 1-[2-[1-(4-methoxyphenyl)-2,2-dimethyl-propoxy]ethyl]-1-methyl-piperidin-1-ium iodide CAS Name: 1-[2-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]ethyl]-1-methylpiperidin-1-ium iodide IUPAC Name: 1-[2-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]ethyl]-1-methylpiperidin-1-ium iodide Traditional Name: 1-[2-[1-(4-methoxyphenyl)-2,2-dimethyl-propoxy]ethyl]-1-methyl-piperidin-1-ium iodide Formula: C20H34INO2 MolecularWeight: 447.39393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CC=C(C=C1)OC)OCC[N+]2(CCCCC2)C.[I-]

Isomeric SMILES

CC(C)(C)C(C1=CC=C(C=C1)OC)OCC[N+]2(CCCCC2)C.[I-]

InChI

InChI=1S/C20H34NO2.HI/c1-20(2,3)19(17-9-11-18(22-5)12-10-17)23-16-15-21(4)13-7-6-8-14-21;/h9-12,19H,6-8,13-16H2,1-5H3;1H/q+1;/p-1