2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C21H26ClN4O2S+ MolecularWeight: 433.97474

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2S/c22-17-3-1-4-18(15-17)24-8-6-23(7-9-24)16-20(27)25-10-12-26(13-11-25)21(28)19-5-2-14-29-19/h1-5,14-15H,6-13,16H2/p+1