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

Systemtic Name: [4-chloranyl-1-[2-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-azanium Openeye Name: [4-chloro-1-[2-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-ammonium CAS Name: [4-chloro-1-[2-(2-hydroxyethyl)phenyl]-1-cyclohexa-2,4-dienyl]sulfonyl-cyclopentyl-dimethylammonium IUPAC Name: [4-chloro-1-[2-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethylazanium Traditional Name: [4-chloro-1-[2-(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=C3CCO

Isomeric SMILES

C[N+](C)(C1CCCC1)S(=O)(=O)C2(CC=C(C=C2)Cl)C3=CC=CC=C3CCO

InChI

InChI=1S/C21H29ClNO3S/c1-23(2,19-8-4-5-9-19)27(25,26)21(14-11-18(22)12-15-21)20-10-6-3-7-17(20)13-16-24/h3,6-7,10-12,14,19,24H,4-5,8-9,13,15-16H2,1-2H3/q+1