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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4)C

InChI

InChI=1S/C23H30N4O2S/c1-18-5-3-6-20(19(18)2)25-10-8-24(9-11-25)17-22(28)26-12-14-27(15-13-26)23(29)21-7-4-16-30-21/h3-7,16H,8-15,17H2,1-2H3/p+1