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

Systemtic Name: [4-chloranyl-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-azanium Openeye Name: [4-chloro-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-ammonium CAS Name: [4-chloro-1-[4-(2-hydroxyethyl)phenyl]-1-cyclohexa-2,4-dienyl]sulfonyl-cyclopentyl-dimethylammonium IUPAC Name: [4-chloro-1-[4-(2-hydroxyethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethylazanium Traditional Name: [4-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=C(C=C2)Cl)C3=CC=C(C=C3)CCO

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClNO3S/c1-23(2,20-5-3-4-6-20)27(25,26)21(14-11-19(22)12-15-21)18-9-7-17(8-10-18)13-16-24/h7-12,14,20,24H,3-6,13,15-16H2,1-2H3/q+1