1-azoniabicyclo[2.2.2]octan-3-yl-bis(3,4-dimethylphenyl)methanol chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl-bis(3,4-dimethylphenyl)methanol chloride Openeye Name: bis(3,4-dimethylphenyl)-quinuclidin-1-ium-3-yl-methanol chloride CAS Name: 1-azoniabicyclo[2.2.2]octan-3-yl-bis(3,4-dimethylphenyl)methanol chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl-bis(3,4-dimethylphenyl)methanol chloride Traditional Name: bis(3,4-dimethylphenyl)-quinuclidin-1-ium-3-yl-methanol chloride Formula: C24H32ClNO MolecularWeight: 385.96998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2C[NH+]3CCC2CC3)(C4=CC(=C(C=C4)C)C)O)C.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C2C[NH+]3CCC2CC3)(C4=CC(=C(C=C4)C)C)O)C.[Cl-]

InChI

InChI=1S/C24H31NO.ClH/c1-16-5-7-21(13-18(16)3)24(26,22-8-6-17(2)19(4)14-22)23-15-25-11-9-20(23)10-12-25;/h5-8,13-14,20,23,26H,9-12,15H2,1-4H3;1H