[1-(3-cyclohexylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide

Systemtic Name: [1-(3-cyclohexylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide Openeye Name: [1-(3-cyclohexylpropyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide CAS Name: [1-(3-cyclohexylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide IUPAC Name: [1-(3-cyclohexylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide Traditional Name: [1-(3-cyclohexylpropyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide Formula: C29H40BrNO MolecularWeight: 498.538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC[N+]23CCC(CC2)(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Br-]

Isomeric SMILES

C1CCC(CC1)CCC[N+]23CCC(CC2)(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Br-]

InChI

InChI=1S/C29H40NO.BrH/c31-29(26-14-6-2-7-15-26,27-16-8-3-9-17-27)28-18-22-30(23-19-28,24-20-28)21-10-13-25-11-4-1-5-12-25;/h2-3,6-9,14-17,25,31H,1,4-5,10-13,18-24H2;1H/q+1;/p-1