[2-(8-bromanylbenzo[e][1]benzothiol-4-yl)-2-oxidanyl-ethyl]-dibutyl-azanium chloride

Systemtic Name: [2-(8-bromanylbenzo[e][1]benzothiol-4-yl)-2-oxidanyl-ethyl]-dibutyl-azanium chloride Openeye Name: [2-(8-bromobenzo[e]benzothiophen-4-yl)-2-hydroxy-ethyl]-dibutyl-ammonium chloride CAS Name: [2-(8-bromo-4-benzo[e][1]benzothiolyl)-2-hydroxyethyl]-dibutylammonium chloride IUPAC Name: [2-(8-bromobenzo[e][1]benzothiol-4-yl)-2-hydroxyethyl]-dibutylazanium chloride Traditional Name: [2-(8-bromobenzo[e]benzothiophen-4-yl)-2-hydroxy-ethyl]-dibutyl-ammonium chloride Formula: C22H29BrClNOS MolecularWeight: 470.89376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC(C1=C2C(=C3C=C(C=CC3=C1)Br)C=CS2)O.[Cl-]

Isomeric SMILES

CCCC[NH+](CCCC)CC(C1=C2C(=C3C=C(C=CC3=C1)Br)C=CS2)O.[Cl-]

InChI

InChI=1S/C22H28BrNOS.ClH/c1-3-5-10-24(11-6-4-2)15-21(25)20-13-16-7-8-17(23)14-19(16)18-9-12-26-22(18)20;/h7-9,12-14,21,25H,3-6,10-11,15H2,1-2H3;1H