2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C22H30N4O2S+2 MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2S/c27-21(25-12-8-23(9-13-25)17-20-7-4-16-29-20)18-24-10-14-26(15-11-24)22(28)19-5-2-1-3-6-19/h1-7,16H,8-15,17-18H2/p+2