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

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl-bis(3-chlorophenyl)methanol chloride Openeye Name: bis(3-chlorophenyl)-quinuclidin-1-ium-3-yl-methanol chloride CAS Name: 1-azoniabicyclo[2.2.2]octan-3-yl-bis(3-chlorophenyl)methanol chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl-bis(3-chlorophenyl)methanol chloride Traditional Name: bis(3-chlorophenyl)-quinuclidin-1-ium-3-yl-methanol chloride Formula: C20H22Cl3NO MolecularWeight: 398.75378

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)C(C3=CC(=CC=C3)Cl)(C4=CC(=CC=C4)Cl)O.[Cl-]

Isomeric SMILES

C1C[NH+]2CCC1C(C2)C(C3=CC(=CC=C3)Cl)(C4=CC(=CC=C4)Cl)O.[Cl-]

InChI

InChI=1S/C20H21Cl2NO.ClH/c21-17-5-1-3-15(11-17)20(24,16-4-2-6-18(22)12-16)19-13-23-9-7-14(19)8-10-23;/h1-6,11-12,14,19,24H,7-10,13H2;1H