3-(diphenylmethylidene)-1-methyl-1-azoniabicyclo[2.2.2]octane bromide

Systemtic Name: 3-(diphenylmethylidene)-1-methyl-1-azoniabicyclo[2.2.2]octane bromide Openeye Name: 3-benzhydrylidene-1-methyl-quinuclidin-1-ium bromide CAS Name: 3-(diphenylmethylene)-1-methyl-1-azoniabicyclo[2.2.2]octane bromide IUPAC Name: 3-benzhydrylidene-1-methyl-1-azoniabicyclo[2.2.2]octane bromide Traditional Name: 3-benzhydrylidene-1-methyl-quinuclidin-1-ium bromide Formula: C21H24BrN MolecularWeight: 370.32596

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2.[Br-]

Isomeric SMILES

C[N+]12CCC(CC1)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2.[Br-]

InChI

InChI=1S/C21H24N.BrH/c1-22-14-12-17(13-15-22)20(16-22)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17H,12-16H2,1H3;1H/q+1;/p-1