dinaphthalen-2-yl-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide

Systemtic Name: dinaphthalen-2-yl-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide Openeye Name: bis(2-naphthyl)-[1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]methanol bromide CAS Name: bis(2-naphthalenyl)-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide IUPAC Name: dinaphthalen-2-yl-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide Traditional Name: bis(2-naphthyl)-[1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]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)CCCOC7=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)CCCOC7=CC=CC=C7.[Br-]

InChI

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