(1-hexyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-diphenyl-methanol bromide

Systemtic Name: (1-hexyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-diphenyl-methanol bromide Openeye Name: (1-hexyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-diphenyl-methanol bromide CAS Name: (1-hexyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-diphenylmethanol bromide IUPAC Name: (1-hexyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-diphenylmethanol bromide Traditional Name: (1-hexyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-diphenyl-methanol bromide Formula: C25H34BrNO MolecularWeight: 444.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]12CCC(C1)(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

CCCCCC[N+]12CCC(C1)(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C25H34NO.BrH/c1-2-3-4-11-18-26-19-16-24(21-26,17-20-26)25(27,22-12-7-5-8-13-22)23-14-9-6-10-15-23;/h5-10,12-15,27H,2-4,11,16-21H2,1H3;1H/q+1;/p-1