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

Systemtic Name: [4-chloranyl-1-[4-(hydroxymethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-azanium Openeye Name: [4-chloro-1-[4-(hydroxymethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-ammonium CAS Name: [4-chloro-1-[4-(hydroxymethyl)phenyl]-1-cyclohexa-2,4-dienyl]sulfonyl-cyclopentyl-dimethylammonium IUPAC Name: [4-chloro-1-[4-(hydroxymethyl)phenyl]cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethylazanium Traditional Name: [4-chloro-1-(4-methylolphenyl)cyclohexa-2,4-dien-1-yl]sulfonyl-cyclopentyl-dimethyl-ammonium Formula: C20H27ClNO3S+ MolecularWeight: 396.95128

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClNO3S/c1-22(2,19-5-3-4-6-19)26(24,25)20(13-11-18(21)12-14-20)17-9-7-16(15-23)8-10-17/h7-13,19,23H,3-6,14-15H2,1-2H3/q+1