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

Systemtic Name: 2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-1-(4-mesylpiperazino)ethanone Formula: C18H26FN4O4S+ MolecularWeight: 413.486843

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H25FN4O4S/c1-28(26,27)23-12-10-21(11-13-23)17(24)14-20-6-8-22(9-7-20)18(25)15-4-2-3-5-16(15)19/h2-5H,6-14H2,1H3/p+1