2-(4-phenylpiperazin-1-ium-1-yl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-phenylpiperazin-1-ium-1-yl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-phenylpiperazin-1-ium-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 2-(4-phenylpiperazin-1-ium-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-phenylpiperazin-1-ium-1-yl)-1-[4-(2-thenoyl)piperazino]ethanone Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4O2S/c26-20(17-22-8-10-23(11-9-22)18-5-2-1-3-6-18)24-12-14-25(15-13-24)21(27)19-7-4-16-28-19/h1-7,16H,8-15,17H2/p+1