5-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole Formula: C26H27N4O+ MolecularWeight: 411.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)30-18-16-29(17-19-30)20-24-27-26(28-31-24)23-14-8-3-9-15-23/h1-15,25H,16-20H2/p+1