[1-[(3-methoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol

Systemtic Name: [1-[(3-methoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol Openeye Name: [1-[(3-methoxyphenyl)methyl]quinuclidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[(3-methoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol IUPAC Name: [1-[(3-methoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol Traditional Name: (1-m-anisylquinuclidin-1-ium-4-yl)-diphenyl-methanol Formula: C28H32NO2+ MolecularWeight: 414.55918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[N+]23CCC(CC2)(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

COC1=CC=CC(=C1)C[N+]23CCC(CC2)(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C28H32NO2/c1-31-26-14-8-9-23(21-26)22-29-18-15-27(16-19-29,17-20-29)28(30,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-14,21,30H,15-20,22H2,1H3/q+1