1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methyl-piperidin-1-ium iodide

Systemtic Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methyl-piperidin-1-ium iodide Openeye Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methyl-piperidin-1-ium iodide CAS Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium iodide IUPAC Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium iodide Traditional Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methyl-piperidin-1-ium iodide Formula: C22H34INO2 MolecularWeight: 471.41533

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC2COC(O2)(C3CCCCC3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CC2COC(O2)(C3CCCCC3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H34NO2.HI/c1-23(15-9-4-10-16-23)17-21-18-24-22(25-21,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2,5-6,11-12,20-21H,3-4,7-10,13-18H2,1H3;1H/q+1;/p-1