[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 9H-xanthene-9-carboxylate

Systemtic Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 9H-xanthene-9-carboxylate Openeye Name: [(3S)-quinuclidin-1-ium-3-yl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [(3S)-quinuclidin-1-ium-3-yl] ester Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C21H21NO3/c23-21(25-19-13-22-11-9-14(19)10-12-22)20-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20/h1-8,14,19-20H,9-13H2/p+1/t19-/m1/s1