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

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(3,4-difluorophenyl)sulfonyl-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-4-(2-methylbenzyl)piperazin-4-ium Formula: C18H21F2N2O2S+ MolecularWeight: 367.433346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H20F2N2O2S/c1-14-4-2-3-5-15(14)13-21-8-10-22(11-9-21)25(23,24)16-6-7-17(19)18(20)12-16/h2-7,12H,8-11,13H2,1H3/p+1