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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC3=NC(=NO3)C4=CC=CS4

InChI

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