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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC4=NC(=NO4)C5=CSC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC4=NC(=NO4)C5=CSC=C5

InChI

InChI=1S/C26H26N4O2S/c31-24(12-11-23-27-26(28-32-23)22-13-18-33-19-22)29-14-16-30(17-15-29)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,13,18-19,25H,11-12,14-17H2/p+1