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

Systemtic Name: [1-(naphthalen-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide Openeye Name: [1-(2-naphthylmethyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide CAS Name: [1-(2-naphthalenylmethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide IUPAC Name: [1-(naphthalen-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide Traditional Name: [1-(2-naphthylmethyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide Formula: C31H32BrNO MolecularWeight: 514.49588

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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)CC5=CC6=CC=CC=C6C=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5=CC6=CC=CC=C6C=C5.[Br-]

InChI

InChI=1S/C31H32NO.BrH/c33-31(28-11-3-1-4-12-28,29-13-5-2-6-14-29)30-17-20-32(21-18-30,22-19-30)24-25-15-16-26-9-7-8-10-27(26)23-25;/h1-16,23,33H,17-22,24H2;1H/q+1;/p-1