1-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]-1-methyl-piperidin-1-ium iodide

Systemtic Name: 1-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]-1-methyl-piperidin-1-ium iodide Openeye Name: 1-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]-1-methyl-piperidin-1-ium iodide CAS Name: 1-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]-1-methylpiperidin-1-ium iodide IUPAC Name: 1-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]-1-methylpiperidin-1-ium iodide Traditional Name: 1-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]-1-methyl-piperidin-1-ium iodide Formula: C22H36INO2 MolecularWeight: 473.43121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC2OCC(O2)C[N+]3(CCCCC3)C.[I-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC2OCC(O2)C[N+]3(CCCCC3)C.[I-]

InChI

InChI=1S/C22H36NO2.HI/c1-22(2,3)19-11-8-18(9-12-19)10-13-21-24-17-20(25-21)16-23(4)14-6-5-7-15-23;/h8-9,11-12,20-21H,5-7,10,13-17H2,1-4H3;1H/q+1;/p-1