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

Systemtic Name: dibutyl-[2-oxidanyl-2-[8-(trifluoromethyl)benzo[e][1]benzothiol-4-yl]ethyl]azanium chloride Openeye Name: dibutyl-[2-hydroxy-2-[8-(trifluoromethyl)benzo[e]benzothiophen-4-yl]ethyl]ammonium chloride CAS Name: dibutyl-[2-hydroxy-2-[8-(trifluoromethyl)-4-benzo[e][1]benzothiolyl]ethyl]ammonium chloride IUPAC Name: dibutyl-[2-hydroxy-2-[8-(trifluoromethyl)benzo[e][1]benzothiol-4-yl]ethyl]azanium chloride Traditional Name: dibutyl-[2-hydroxy-2-[8-(trifluoromethyl)benzo[e]benzothiophen-4-yl]ethyl]ammonium chloride Formula: C23H29ClF3NOS MolecularWeight: 459.99567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28F3NOS.ClH/c1-3-5-10-27(11-6-4-2)15-21(28)20-13-16-7-8-17(23(24,25)26)14-19(16)18-9-12-29-22(18)20;/h7-9,12-14,21,28H,3-6,10-11,15H2,1-2H3;1H