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

Systemtic Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenyl-methanol iodide Openeye Name: (1-butylquinuclidin-1-ium-3-yl)-diphenyl-methanol iodide CAS Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenylmethanol iodide IUPAC Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenylmethanol iodide Traditional Name: (1-butylquinuclidin-1-ium-3-yl)-diphenyl-methanol iodide Formula: C24H32INO MolecularWeight: 477.42145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32NO.HI/c1-2-3-16-25-17-14-20(15-18-25)23(19-25)24(26,21-10-6-4-7-11-21)22-12-8-5-9-13-22;/h4-13,20,23,26H,2-3,14-19H2,1H3;1H/q+1;/p-1