4,5-dimethyl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4,5-dimethyl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4,5-dimethyl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol CAS Name: 4,5-dimethyl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4,5-dimethyl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4,5-dimethyl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Formula: C23H33N2O3S+ MolecularWeight: 417.58472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=C(C(=C3)C)C)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=C(C(=C3)C)C)O)C)C

InChI

InChI=1S/C23H32N2O3S/c1-15-12-21(22(26)13-16(15)2)14-24-7-9-25(10-8-24)29(27,28)23-19(5)17(3)11-18(4)20(23)6/h11-13,26H,7-10,14H2,1-6H3/p+1