1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-4-m-anisyl-piperazin-4-ium Formula: C18H21F2N2O3S+ MolecularWeight: 383.432746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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