1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-methylsulfonylpiperazin-1-ium-1-yl)-1-[4-(m-tolylmethyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-(4-methylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 2-(4-mesylpiperazin-1-ium-1-yl)-1-[4-(3-methylbenzyl)piperazino]ethanone Formula: C19H31N4O3S+ MolecularWeight: 395.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H30N4O3S/c1-17-4-3-5-18(14-17)15-20-6-10-22(11-7-20)19(24)16-21-8-12-23(13-9-21)27(2,25)26/h3-5,14H,6-13,15-16H2,1-2H3/p+1