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

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(3,4-difluorophenyl)sulfonyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium Formula: C19H23F2N2O3S+ MolecularWeight: 397.459326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C19H22F2N2O3S/c1-14-3-6-19(26-2)15(11-14)13-22-7-9-23(10-8-22)27(24,25)16-4-5-17(20)18(21)12-16/h3-6,11-12H,7-10,13H2,1-2H3/p+1