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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,4-difluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,4-difluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,4-difluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,4-difluorophenyl)sulfonyl-4-p-anisyl-piperazin-4-ium Formula: C18H21F2N2O3S+ MolecularWeight: 383.432746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C18H20F2N2O3S/c1-25-16-5-2-14(3-6-16)13-21-8-10-22(11-9-21)26(23,24)18-7-4-15(19)12-17(18)20/h2-7,12H,8-11,13H2,1H3/p+1