1-[3,5-bis(fluoranyl)phenyl]sulfonyl-4-(pyridin-4-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[3,5-bis(fluoranyl)phenyl]sulfonyl-4-(pyridin-4-ylmethyl)piperazin-4-ium Openeye Name: 1-(3,5-difluorophenyl)sulfonyl-4-(4-pyridylmethyl)piperazin-4-ium CAS Name: 1-(3,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazin-4-ium IUPAC Name: 1-(3,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazin-4-ium Traditional Name: 1-(3,5-difluorophenyl)sulfonyl-4-(4-pyridylmethyl)piperazin-4-ium Formula: C16H18F2N3O2S+ MolecularWeight: 354.394826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)S(=O)(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)S(=O)(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C16H17F2N3O2S/c17-14-9-15(18)11-16(10-14)24(22,23)21-7-5-20(6-8-21)12-13-1-3-19-4-2-13/h1-4,9-11H,5-8,12H2/p+1