diphenyl-[1-[3-(4-phenylmethoxyphenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl]methanol

Systemtic Name: diphenyl-[1-[3-(4-phenylmethoxyphenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl]methanol Openeye Name: [1-[3-(4-benzyloxyphenoxy)propyl]quinuclidin-1-ium-4-yl]-diphenyl-methanol CAS Name: diphenyl-[1-[3-(4-phenylmethoxyphenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl]methanol IUPAC Name: diphenyl-[1-[3-(4-phenylmethoxyphenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl]methanol Traditional Name: [1-[3-(4-benzoxyphenoxy)propyl]quinuclidin-1-ium-4-yl]-diphenyl-methanol Formula: C36H40NO3+ MolecularWeight: 534.7077

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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)CCCOC5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCOC5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C36H40NO3/c38-36(31-13-6-2-7-14-31,32-15-8-3-9-16-32)35-21-25-37(26-22-35,27-23-35)24-10-28-39-33-17-19-34(20-18-33)40-29-30-11-4-1-5-12-30/h1-9,11-20,38H,10,21-29H2/q+1