1-(1-adamantyl)-4-[2,5-bis(fluoranyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-[2,5-bis(fluoranyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(2,5-difluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(2,5-difluorophenyl)sulfonyl-piperazin-1-ium Formula: C20H27F2N2O2S+ MolecularWeight: 397.502386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26F2N2O2S/c21-17-1-2-18(22)19(10-17)27(25,26)24-5-3-23(4-6-24)20-11-14-7-15(12-20)9-16(8-14)13-20/h1-2,10,14-16H,3-9,11-13H2/p+1