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

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol chloride Openeye Name: bis-o-tolyl(quinuclidin-1-ium-3-yl)methanol chloride CAS Name: 1-azoniabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol chloride Traditional Name: bis-o-tolyl(quinuclidin-1-ium-3-yl)methanol chloride Formula: C22H28ClNO MolecularWeight: 357.91682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2C[NH+]3CCC2CC3)(C4=CC=CC=C4C)O.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C(C2C[NH+]3CCC2CC3)(C4=CC=CC=C4C)O.[Cl-]

InChI

InChI=1S/C22H27NO.ClH/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23;/h3-10,18,21,24H,11-15H2,1-2H3;1H