1-azoniabicyclo[2.2.2]octan-3-yl 9H-xanthene-9-carboxylate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl 9H-xanthene-9-carboxylate chloride Openeye Name: quinuclidin-1-ium-3-yl 9H-xanthene-9-carboxylate chloride CAS Name: 9H-xanthene-9-carboxylic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl 9H-xanthene-9-carboxylate chloride Traditional Name: 9H-xanthene-9-carboxylic acid quinuclidin-1-ium-3-yl ester chloride Formula: C21H22ClNO3 MolecularWeight: 371.85728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3.ClH/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;1H