1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-one bromide

Systemtic Name: 1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-one bromide Openeye Name: 1-methyl-4-phenyl-quinuclidin-1-ium-3-one bromide CAS Name: 1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-one bromide IUPAC Name: 1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-one bromide Traditional Name: 1-methyl-4-phenyl-quinuclidin-1-ium-3-one bromide Formula: C14H18BrNO MolecularWeight: 296.20282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NO.BrH/c1-15-9-7-14(8-10-15,13(16)11-15)12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H/q+1;/p-1