(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9,10-dihydroanthracene-9-carboxylate bromide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9,10-dihydroanthracene-9-carboxylate bromide Openeye Name: (1-methylquinuclidin-1-ium-3-yl) 9,10-dihydroanthracene-9-carboxylate bromide CAS Name: 9,10-dihydroanthracene-9-carboxylic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester bromide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9,10-dihydroanthracene-9-carboxylate bromide Traditional Name: 9,10-dihydroanthracene-9-carboxylic acid (1-methylquinuclidin-1-ium-3-yl) ester bromide Formula: C23H26BrNO2 MolecularWeight: 428.36204

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)C3C4=CC=CC=C4CC5=CC=CC=C35.[Br-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)OC(=O)C3C4=CC=CC=C4CC5=CC=CC=C35.[Br-]

InChI

InChI=1S/C23H26NO2.BrH/c1-24-12-10-16(11-13-24)21(15-24)26-23(25)22-19-8-4-2-6-17(19)14-18-7-3-5-9-20(18)22;/h2-9,16,21-22H,10-15H2,1H3;1H/q+1;/p-1