[4-chloranyl-1-[4-(2-hydroxyethyl)phenyl]-4-oxidanyl-cyclohexa-2,5-dien-1-yl]sulfonyl-cyclohexyl-dimethyl-azanium

Systemtic Name: [4-chloranyl-1-[4-(2-hydroxyethyl)phenyl]-4-oxidanyl-cyclohexa-2,5-dien-1-yl]sulfonyl-cyclohexyl-dimethyl-azanium Openeye Name: [4-chloro-4-hydroxy-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,5-dien-1-yl]sulfonyl-cyclohexyl-dimethyl-ammonium CAS Name: [4-chloro-4-hydroxy-1-[4-(2-hydroxyethyl)phenyl]-1-cyclohexa-2,5-dienyl]sulfonyl-cyclohexyl-dimethylammonium IUPAC Name: [4-chloro-4-hydroxy-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,5-dien-1-yl]sulfonyl-cyclohexyl-dimethylazanium Traditional Name: [4-chloro-4-hydroxy-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,5-dien-1-yl]sulfonyl-cyclohexyl-dimethyl-ammonium Formula: C22H31ClNO4S+ MolecularWeight: 441.00384

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1CCCCC1)S(=O)(=O)C2(C=CC(C=C2)(O)Cl)C3=CC=C(C=C3)CCO

Isomeric SMILES

C[N+](C)(C1CCCCC1)S(=O)(=O)C2(C=CC(C=C2)(O)Cl)C3=CC=C(C=C3)CCO

InChI

InChI=1S/C22H31ClNO4S/c1-24(2,20-6-4-3-5-7-20)29(27,28)21(13-15-22(23,26)16-14-21)19-10-8-18(9-11-19)12-17-25/h8-11,13-16,20,25-26H,3-7,12,17H2,1-2H3/q+1