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

Systemtic Name: 3-(diphenylmethylidene)-1-propyl-1-azoniabicyclo[2.2.2]octane bromide Openeye Name: 3-benzhydrylidene-1-propyl-quinuclidin-1-ium bromide CAS Name: 3-(diphenylmethylene)-1-propyl-1-azoniabicyclo[2.2.2]octane bromide IUPAC Name: 3-benzhydrylidene-1-propyl-1-azoniabicyclo[2.2.2]octane bromide Traditional Name: 3-benzhydrylidene-1-propyl-quinuclidin-1-ium bromide Formula: C23H28BrN MolecularWeight: 398.37912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N.BrH/c1-2-15-24-16-13-19(14-17-24)22(18-24)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,19H,2,13-18H2,1H3;1H/q+1;/p-1