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

Systemtic Name: [2-chloranyl-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-azanium Openeye Name: [2-chloro-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-ammonium CAS Name: [2-chloro-1-[4-(2-hydroxyethyl)phenyl]-1-cyclohexa-2,4-dienyl]sulfonyl-cyclopentyl-dimethylammonium IUPAC Name: [2-chloro-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethylazanium Traditional Name: [2-chloro-1-[4-(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=CC=C2Cl)C3=CC=C(C=C3)CCO

Isomeric SMILES

C[N+](C)(C1CCCC1)S(=O)(=O)C2(CC=CC=C2Cl)C3=CC=C(C=C3)CCO

InChI

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