[(3R)-1-(4-methylpent-3-enyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9H-xanthene-9-carboxylate

Systemtic Name: [(3R)-1-(4-methylpent-3-enyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9H-xanthene-9-carboxylate Openeye Name: [(3R)-1-(4-methylpent-3-enyl)quinuclidin-1-ium-3-yl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [(3R)-1-(4-methylpent-3-enyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-(4-methylpent-3-enyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [(3R)-1-(4-methylpent-3-enyl)quinuclidin-1-ium-3-yl] ester Formula: C27H32NO3+ MolecularWeight: 418.54788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC[N+]12CCC(CC1)C(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C

Isomeric SMILES

CC(=CCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C

InChI

InChI=1S/C27H32NO3/c1-19(2)8-7-15-28-16-13-20(14-17-28)25(18-28)31-27(29)26-21-9-3-5-11-23(21)30-24-12-6-4-10-22(24)26/h3-6,8-12,20,25-26H,7,13-18H2,1-2H3/q+1/t20?,25-,28?/m0/s1