bis(3-methoxyphenyl)-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide

Systemtic Name: bis(3-methoxyphenyl)-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide Openeye Name: bis(3-methoxyphenyl)-[1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]methanol bromide CAS Name: bis(3-methoxyphenyl)-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide IUPAC Name: bis(3-methoxyphenyl)-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide Traditional Name: bis(3-methoxyphenyl)-[1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]methanol bromide Formula: C31H38BrNO4 MolecularWeight: 568.54172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC(=CC=C2)OC)(C34CC[N+](CC3)(CC4)CCCOC5=CC=CC=C5)O.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC(=CC=C2)OC)(C34CC[N+](CC3)(CC4)CCCOC5=CC=CC=C5)O.[Br-]

InChI

InChI=1S/C31H38NO4.BrH/c1-34-28-13-6-9-25(23-28)31(33,26-10-7-14-29(24-26)35-2)30-15-19-32(20-16-30,21-17-30)18-8-22-36-27-11-4-3-5-12-27;/h3-7,9-14,23-24,33H,8,15-22H2,1-2H3;1H/q+1;/p-1