(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-bis(2-methylphenyl)methanol iodide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-bis(2-methylphenyl)methanol iodide Openeye Name: (1-methylquinuclidin-1-ium-3-yl)-bis(o-tolyl)methanol iodide CAS Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-bis(2-methylphenyl)methanol iodide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-bis(2-methylphenyl)methanol iodide Traditional Name: (1-methylquinuclidin-1-ium-3-yl)-bis(o-tolyl)methanol iodide Formula: C23H30INO MolecularWeight: 463.39487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2C[N+]3(CCC2CC3)C)(C4=CC=CC=C4C)O.[I-]

Isomeric SMILES

CC1=CC=CC=C1C(C2C[N+]3(CCC2CC3)C)(C4=CC=CC=C4C)O.[I-]

InChI

InChI=1S/C23H30NO.HI/c1-17-8-4-6-10-20(17)23(25,21-11-7-5-9-18(21)2)22-16-24(3)14-12-19(22)13-15-24;/h4-11,19,22,25H,12-16H2,1-3H3;1H/q+1;/p-1