1-[2,6-bis(fluoranyl)phenyl]sulfonyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]sulfonyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,6-difluorophenyl)sulfonyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(2,6-difluorophenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,6-difluorophenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,6-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=C(C=CC=C3F)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

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