2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol

Systemtic Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol Openeye Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol CAS Name: 2-[[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4,5-dimethylphenol IUPAC Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethylphenol Traditional Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol Formula: C19H24ClN2O3S+ MolecularWeight: 395.92346

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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=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O3S/c1-14-10-16(19(23)11-15(14)2)13-21-6-8-22(9-7-21)26(24,25)18-5-3-4-17(20)12-18/h3-5,10-12,23H,6-9,13H2,1-2H3/p+1