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

Systemtic Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-2-iodanyl-1-methyl-piperidin-1-ium Openeye Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-2-iodo-1-methyl-piperidin-1-ium CAS Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-2-iodo-1-methylpiperidin-1-ium IUPAC Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-2-iodo-1-methylpiperidin-1-ium Traditional Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-2-iodo-1-methyl-piperidin-1-ium Formula: C22H33INO2+ MolecularWeight: 470.40739

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1I)CC2COC(O2)(C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCCCC1I)CC2COC(O2)(C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H33INO2/c1-24(15-9-8-14-21(24)23)16-20-17-25-22(26-20,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2,4-5,10-11,19-21H,3,6-9,12-17H2,1H3/q+1