3-[3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-(4-benzhydrylpiperazine-1,4-diium-1-yl)propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-(4-benzhydrylpiperazine-1,4-diium-1-yl)propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-(4-benzhydrylpiperazine-1,4-diium-1-yl)propyl]-1H-benzimidazol-2-one Formula: C27H32N4O+2 MolecularWeight: 428.56918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)/p+2