2-[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-(3,4-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C17H24F2N3O3S+ MolecularWeight: 388.452566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H23F2N3O3S/c18-15-5-4-14(12-16(15)19)26(24,25)22-10-8-20(9-11-22)13-17(23)21-6-2-1-3-7-21/h4-5,12H,1-3,6-11,13H2/p+1