1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-[4-(4-hydroxyphenyl)piperazino]-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]ethanone Formula: C21H30N4O2S+2 MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H28N4O2S/c26-19-5-3-18(4-6-19)24-11-13-25(14-12-24)21(27)17-23-9-7-22(8-10-23)16-20-2-1-15-28-20/h1-6,15,26H,7-14,16-17H2/p+2