1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2,2-diphenyl-ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2,2-diphenylethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2,2-diphenyl-ethanone Formula: C31H31N2O+ MolecularWeight: 447.59064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N2O/c34-31(29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33-23-21-32(22-24-33)30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2/p+1