[1-(5-phenoxypentyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol

Systemtic Name: [1-(5-phenoxypentyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol Openeye Name: [1-(5-phenoxypentyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-(5-phenoxypentyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol IUPAC Name: [1-(5-phenoxypentyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol Traditional Name: [1-(5-phenoxypentyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol Formula: C31H38NO2+ MolecularWeight: 456.63892

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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)CCCCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCCCOC5=CC=CC=C5

InChI

InChI=1S/C31H38NO2/c33-31(27-13-5-1-6-14-27,28-15-7-2-8-16-28)30-19-23-32(24-20-30,25-21-30)22-11-4-12-26-34-29-17-9-3-10-18-29/h1-3,5-10,13-18,33H,4,11-12,19-26H2/q+1