1-azoniabicyclo[2.2.2]octan-3-yl-[1-(4-methoxyphenyl)-2-phenyl-ethyl]azanium

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl-[1-(4-methoxyphenyl)-2-phenyl-ethyl]azanium Openeye Name: [1-(4-methoxyphenyl)-2-phenyl-ethyl]-quinuclidin-1-ium-3-yl-ammonium CAS Name: 1-azoniabicyclo[2.2.2]octan-3-yl-[1-(4-methoxyphenyl)-2-phenylethyl]ammonium IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl-[1-(4-methoxyphenyl)-2-phenylethyl]azanium Traditional Name: [1-(4-methoxyphenyl)-2-phenyl-ethyl]-quinuclidin-1-ium-3-yl-ammonium Formula: C22H30N2O+2 MolecularWeight: 338.4864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CC=CC=C2)[NH2+]C3C[NH+]4CCC3CC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CC2=CC=CC=C2)[NH2+]C3C[NH+]4CCC3CC4

InChI

InChI=1S/C22H28N2O/c1-25-20-9-7-18(8-10-20)21(15-17-5-3-2-4-6-17)23-22-16-24-13-11-19(22)12-14-24/h2-10,19,21-23H,11-16H2,1H3/p+2