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

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O2S/c1-18-5-2-3-6-19(18)24-10-8-23(9-11-24)17-21(27)25-12-14-26(15-13-25)22(28)20-7-4-16-29-20/h2-7,16H,8-15,17H2,1H3/p+1