2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C23H32N4O2S+2 MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

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