3H-benzimidazol-5-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 3H-benzimidazol-5-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3H-benzimidazol-5-yl)methanone CAS Name: 3H-benzimidazol-5-yl-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3H-benzimidazol-5-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3H-benzimidazol-5-yl)methanone Formula: C25H25N4O+ MolecularWeight: 397.4922

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)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C25H24N4O/c30-25(21-11-12-22-23(17-21)27-18-26-22)29-15-13-28(14-16-29)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,24H,13-16H2,(H,26,27)/p+1