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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[4-(2-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C23H32N4O2S+2 MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C23H30N4O2S/c1-19(28)20-4-6-21(7-5-20)26-12-8-25(9-13-26)18-23(29)27-14-10-24(11-15-27)17-22-3-2-16-30-22/h2-7,16H,8-15,17-18H2,1H3/p+2