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

Systemtic Name: 5-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N4OS/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)28-15-13-27(14-16-28)18-22-25-24(26-29-22)21-12-7-17-30-21/h1-12,17,23H,13-16,18H2/p+1