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

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(5-methyl-2-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium Formula: C16H19F2N2O3S+ MolecularWeight: 357.395466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C16H18F2N2O3S/c1-12-2-4-14(23-12)11-19-6-8-20(9-7-19)24(21,22)16-10-13(17)3-5-15(16)18/h2-5,10H,6-9,11H2,1H3/p+1