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

Systemtic Name: 1-butyl-3-(diphenylmethylidene)-1-azoniabicyclo[2.2.2]octane bromide Openeye Name: 3-benzhydrylidene-1-butyl-quinuclidin-1-ium bromide CAS Name: 1-butyl-3-(diphenylmethylene)-1-azoniabicyclo[2.2.2]octane bromide IUPAC Name: 3-benzhydrylidene-1-butyl-1-azoniabicyclo[2.2.2]octane bromide Traditional Name: 3-benzhydrylidene-1-butyl-quinuclidin-1-ium bromide Formula: C24H30BrN MolecularWeight: 412.4057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N.BrH/c1-2-3-16-25-17-14-20(15-18-25)23(19-25)24(21-10-6-4-7-11-21)22-12-8-5-9-13-22;/h4-13,20H,2-3,14-19H2,1H3;1H/q+1;/p-1