[4-chloranyl-1-[3-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-azanium

Systemtic Name: [4-chloranyl-1-[3-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-azanium Openeye Name: [4-chloro-1-[3-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-ammonium CAS Name: [4-chloro-1-[3-(2-hydroxyethyl)phenyl]-1-cyclohexa-2,4-dienyl]sulfonyl-cyclopentyl-dimethylammonium IUPAC Name: [4-chloro-1-[3-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethylazanium Traditional Name: [4-chloro-1-[3-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-ammonium Formula: C21H29ClNO3S+ MolecularWeight: 410.97786

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1CCCC1)S(=O)(=O)C2(CC=C(C=C2)Cl)C3=CC(=CC=C3)CCO

Isomeric SMILES

C[N+](C)(C1CCCC1)S(=O)(=O)C2(CC=C(C=C2)Cl)C3=CC(=CC=C3)CCO

InChI

InChI=1S/C21H29ClNO3S/c1-23(2,20-8-3-4-9-20)27(25,26)21(13-10-19(22)11-14-21)18-7-5-6-17(16-18)12-15-24/h5-7,10-11,13,16,20,24H,3-4,8-9,12,14-15H2,1-2H3/q+1