(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 3-oxidanyl-2,2-diphenyl-propanoate

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 3-oxidanyl-2,2-diphenyl-propanoate Openeye Name: (1-methylquinuclidin-1-ium-3-yl) 3-hydroxy-2,2-diphenyl-propanoate CAS Name: 3-hydroxy-2,2-diphenylpropanoic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 3-hydroxy-2,2-diphenylpropanoate Traditional Name: 3-hydroxy-2,2-diphenyl-propionic acid (1-methylquinuclidin-1-ium-3-yl) ester Formula: C23H28NO3+ MolecularWeight: 366.47332

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)C(CO)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)OC(=O)C(CO)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H28NO3/c1-24-14-12-18(13-15-24)21(16-24)27-22(26)23(17-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21,25H,12-17H2,1H3/q+1