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

Systemtic Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]propan-1-one Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S/c25-19(24-12-10-23(11-13-24)15-17-7-4-14-27-17)9-8-18-21-20(22-26-18)16-5-2-1-3-6-16/h1-7,14H,8-13,15H2/p+1