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

Systemtic Name: [1-(cyclopropylmethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide Openeye Name: [1-(cyclopropylmethyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide CAS Name: [1-(cyclopropylmethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide IUPAC Name: [1-(cyclopropylmethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide Traditional Name: [1-(cyclopropylmethyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide Formula: C24H30BrNO MolecularWeight: 428.4051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C[N+]23CCC(CC2)(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Br-]

Isomeric SMILES

C1CC1C[N+]23CCC(CC2)(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Br-]

InChI

InChI=1S/C24H30NO.BrH/c26-24(21-7-3-1-4-8-21,22-9-5-2-6-10-22)23-13-16-25(17-14-23,18-15-23)19-20-11-12-20;/h1-10,20,26H,11-19H2;1H/q+1;/p-1