(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenyl-methanol iodide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenyl-methanol iodide Openeye Name: (1-methylquinuclidin-1-ium-3-yl)-diphenyl-methanol iodide CAS Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenylmethanol iodide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenylmethanol iodide Traditional Name: (1-methylquinuclidin-1-ium-3-yl)-diphenyl-methanol iodide Formula: C21H26INO MolecularWeight: 435.34171

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-]

InChI

InChI=1S/C21H26NO.HI/c1-22-14-12-17(13-15-22)20(16-22)21(23,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,23H,12-16H2,1H3;1H/q+1;/p-1