N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-9H-xanthene-4-carboxamide bromide

Systemtic Name: N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-9H-xanthene-4-carboxamide bromide Openeye Name: N-(1-methylquinuclidin-1-ium-3-yl)-9H-xanthene-4-carboxamide bromide CAS Name: N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-9H-xanthene-4-carboxamide bromide IUPAC Name: N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-9H-xanthene-4-carboxamide bromide Traditional Name: N-(1-methylquinuclidin-1-ium-3-yl)-9H-xanthene-4-carboxamide bromide Formula: C22H25BrN2O2 MolecularWeight: 429.3501

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)NC(=O)C3=C4C(=CC=C3)CC5=CC=CC=C5O4.[Br-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)NC(=O)C3=C4C(=CC=C3)CC5=CC=CC=C5O4.[Br-]

InChI

InChI=1S/C22H24N2O2.BrH/c1-24-11-9-15(10-12-24)19(14-24)23-22(25)18-7-4-6-17-13-16-5-2-3-8-20(16)26-21(17)18;/h2-8,15,19H,9-14H2,1H3;1H