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

Systemtic Name: [4-chloranyl-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclohexyl-dimethyl-azanium Openeye Name: [4-chloro-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclohexyl-dimethyl-ammonium CAS Name: [4-chloro-1-[4-(2-hydroxyethyl)phenyl]-1-cyclohexa-2,4-dienyl]sulfonyl-cyclohexyl-dimethylammonium IUPAC Name: [4-chloro-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclohexyl-dimethylazanium Traditional Name: [4-chloro-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclohexyl-dimethyl-ammonium Formula: C22H31ClNO3S+ MolecularWeight: 425.00444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClNO3S/c1-24(2,21-6-4-3-5-7-21)28(26,27)22(15-12-20(23)13-16-22)19-10-8-18(9-11-19)14-17-25/h8-13,15,21,25H,3-7,14,16-17H2,1-2H3/q+1