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

Systemtic Name: [4-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C25H25N4O2S+ MolecularWeight: 445.5566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H24N4O2S/c30-25(21-12-7-17-32-21)29-15-13-28(14-16-29)18-22-26-24(27-31-22)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,23H,13-16,18H2/p+1