2-(2-methylphenyl)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-methylphenyl)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-2-(o-tolyl)ethanone CAS Name: 2-(2-methylphenyl)-1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-methylphenyl)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazino]-2-(o-tolyl)ethanone Formula: C18H29N4O3S+ MolecularWeight: 381.51286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCN(CC2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCN(CC2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H28N4O3S/c1-16-5-3-4-6-17(16)15-18(23)20-9-13-22(14-10-20)26(24,25)21-11-7-19(2)8-12-21/h3-6H,7-15H2,1-2H3/p+1