2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol

Systemtic Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol Openeye Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol CAS Name: 2-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4,5-dimethylphenol IUPAC Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethylphenol Traditional Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol Formula: C19H24FN2O3S+ MolecularWeight: 379.468863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H23FN2O3S/c1-14-11-16(18(23)12-15(14)2)13-21-7-9-22(10-8-21)26(24,25)19-6-4-3-5-17(19)20/h3-6,11-12,23H,7-10,13H2,1-2H3/p+1