5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one CAS Name: 5-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one Formula: C24H25N4O3S+ MolecularWeight: 449.5453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)NC(=O)N5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)NC(=O)N5

InChI

InChI=1S/C24H24N4O3S/c29-24-25-21-12-11-20(17-22(21)26-24)32(30,31)28-15-13-27(14-16-28)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2,(H2,25,26,29)/p+1