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

Systemtic Name: 1-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]-1-methyl-pyrrolidin-1-ium iodide Openeye Name: 1-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]-1-methyl-pyrrolidin-1-ium iodide CAS Name: 1-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]-1-methylpyrrolidin-1-ium iodide IUPAC Name: 1-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]-1-methylpyrrolidin-1-ium iodide Traditional Name: 1-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]-1-methyl-pyrrolidin-1-ium iodide Formula: C21H34INO2 MolecularWeight: 459.40463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC2OCC(O2)C[N+]3(CCCC3)C.[I-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC2OCC(O2)C[N+]3(CCCC3)C.[I-]

InChI

InChI=1S/C21H34NO2.HI/c1-21(2,3)18-10-7-17(8-11-18)9-12-20-23-16-19(24-20)15-22(4)13-5-6-14-22;/h7-8,10-11,19-20H,5-6,9,12-16H2,1-4H3;1H/q+1;/p-1