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

Systemtic Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9H-xanthene-9-carboxylate Openeye Name: (1-butylquinuclidin-1-ium-3-yl) 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (1-butylquinuclidin-1-ium-3-yl) ester Formula: C25H30NO3+ MolecularWeight: 392.5106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30NO3/c1-2-3-14-26-15-12-18(13-16-26)23(17-26)29-25(27)24-19-8-4-6-10-21(19)28-22-11-7-5-9-20(22)24/h4-11,18,23-24H,2-3,12-17H2,1H3/q+1