2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methoxy-4-methyl-phenol

Systemtic Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methoxy-4-methyl-phenol Openeye Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methoxy-4-methyl-phenol CAS Name: 2-[[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-6-methoxy-4-methylphenol IUPAC Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methoxy-4-methylphenol Traditional Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methoxy-4-methyl-phenol Formula: C19H24ClN2O4S+ MolecularWeight: 411.92286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)OC)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H23ClN2O4S/c1-14-11-15(19(23)17(12-14)26-2)13-21-7-9-22(10-8-21)27(24,25)18-6-4-3-5-16(18)20/h3-6,11-12,23H,7-10,13H2,1-2H3/p+1