1-(1-adamantyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-adamantyl)-2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-adamantyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C22H30FN2O3S+ MolecularWeight: 421.548603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5F

InChI

InChI=1S/C22H29FN2O3S/c23-19-3-1-2-4-20(19)29(27,28)25-7-5-24(6-8-25)15-21(26)22-12-16-9-17(13-22)11-18(10-16)14-22/h1-4,16-18H,5-15H2/p+1