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

Systemtic Name: 5-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-(2-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-3-(2-pyridinyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-(2-pyridyl)-1,2,4-oxadiazole Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=N3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=N3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)30-17-15-29(16-18-30)19-23-27-25(28-31-23)22-13-7-8-14-26-22/h1-14,24H,15-19H2/p+1