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

Systemtic Name: 3-(diphenylmethylidene)-1-ethyl-1-azoniabicyclo[2.2.2]octane bromide Openeye Name: 3-benzhydrylidene-1-ethyl-quinuclidin-1-ium bromide CAS Name: 3-(diphenylmethylene)-1-ethyl-1-azoniabicyclo[2.2.2]octane bromide IUPAC Name: 3-benzhydrylidene-1-ethyl-1-azoniabicyclo[2.2.2]octane bromide Traditional Name: 3-benzhydrylidene-1-ethyl-quinuclidin-1-ium bromide Formula: C22H26BrN MolecularWeight: 384.35254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N.BrH/c1-2-23-15-13-18(14-16-23)21(17-23)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,18H,2,13-17H2,1H3;1H/q+1;/p-1