[1-(1,3-dioxolan-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide

Systemtic Name: [1-(1,3-dioxolan-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide Openeye Name: [1-(1,3-dioxolan-2-ylmethyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide CAS Name: [1-(1,3-dioxolan-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide IUPAC Name: [1-(1,3-dioxolan-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide Traditional Name: [1-(1,3-dioxolan-2-ylmethyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide Formula: C24H30BrNO3 MolecularWeight: 460.4039

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5OCCO5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5OCCO5.[Br-]

InChI

InChI=1S/C24H30NO3.BrH/c26-24(20-7-3-1-4-8-20,21-9-5-2-6-10-21)23-11-14-25(15-12-23,16-13-23)19-22-27-17-18-28-22;/h1-10,22,26H,11-19H2;1H/q+1;/p-1