1,1-dimethyl-4,4-diphenyl-azepan-1-ium-3-ol bromide

Systemtic Name: 1,1-dimethyl-4,4-diphenyl-azepan-1-ium-3-ol bromide Openeye Name: 1,1-dimethyl-4,4-diphenyl-azepan-1-ium-3-ol bromide CAS Name: 1,1-dimethyl-4,4-diphenyl-3-azepan-1-iumol bromide IUPAC Name: 1,1-dimethyl-4,4-diphenylazepan-1-ium-3-ol bromide Traditional Name: 1,1-dimethyl-4,4-diphenyl-azepan-1-ium-3-ol bromide Formula: C20H26BrNO MolecularWeight: 376.33054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C(C1)O)(C2=CC=CC=C2)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

C[N+]1(CCCC(C(C1)O)(C2=CC=CC=C2)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C20H26NO.BrH/c1-21(2)15-9-14-20(19(22)16-21,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,22H,9,14-16H2,1-2H3;1H/q+1;/p-1