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

Systemtic Name: N-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl]-9H-xanthene-4-carboxamide bromide Openeye Name: N-[1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl]-9H-xanthene-4-carboxamide bromide CAS Name: N-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl]-9H-xanthene-4-carboxamide bromide IUPAC Name: N-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl]-9H-xanthene-4-carboxamide bromide Traditional Name: N-[1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl]-9H-xanthene-4-carboxamide bromide Formula: C30H33BrN2O3 MolecularWeight: 549.49862

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)NC(=O)C3=C4C(=CC=C3)CC5=CC=CC=C5O4)CCCOC6=CC=CC=C6.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1C(C2)NC(=O)C3=C4C(=CC=C3)CC5=CC=CC=C5O4)CCCOC6=CC=CC=C6.[Br-]

InChI

InChI=1S/C30H32N2O3.BrH/c33-30(26-12-6-9-24-20-23-8-4-5-13-28(23)35-29(24)26)31-27-21-32(17-14-22(27)15-18-32)16-7-19-34-25-10-2-1-3-11-25;/h1-6,8-13,22,27H,7,14-21H2;1H