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

Systemtic Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-(4-methylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(2-fluorobenzyl)piperazino]-2-(4-mesylpiperazin-1-ium-1-yl)ethanone Formula: C18H28FN4O3S+ MolecularWeight: 399.503323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C18H27FN4O3S/c1-27(25,26)23-12-8-21(9-13-23)15-18(24)22-10-6-20(7-11-22)14-16-4-2-3-5-17(16)19/h2-5H,6-15H2,1H3/p+1