dinaphthalen-2-yl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide

Systemtic Name: dinaphthalen-2-yl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide Openeye Name: [1-(2-benzyloxyethyl)quinuclidin-1-ium-4-yl]-bis(2-naphthyl)methanol bromide CAS Name: bis(2-naphthalenyl)-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide IUPAC Name: dinaphthalen-2-yl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide Traditional Name: [1-(2-benzoxyethyl)quinuclidin-1-ium-4-yl]-bis(2-naphthyl)methanol bromide Formula: C37H38BrNO2 MolecularWeight: 608.60712

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)C(C3=CC4=CC=CC=C4C=C3)(C5=CC6=CC=CC=C6C=C5)O)CCOCC7=CC=CC=C7.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC4=CC=CC=C4C=C3)(C5=CC6=CC=CC=C6C=C5)O)CCOCC7=CC=CC=C7.[Br-]

InChI

InChI=1S/C37H38NO2.BrH/c39-37(34-16-14-30-10-4-6-12-32(30)26-34,35-17-15-31-11-5-7-13-33(31)27-35)36-18-21-38(22-19-36,23-20-36)24-25-40-28-29-8-2-1-3-9-29;/h1-17,26-27,39H,18-25,28H2;1H/q+1;/p-1