[3-[(3,4-dimethyl-9H-thioxanthen-2-yl)oxy]-2-oxidanyl-propyl]-trimethyl-azanium chloride

Systemtic Name: [3-[(3,4-dimethyl-9H-thioxanthen-2-yl)oxy]-2-oxidanyl-propyl]-trimethyl-azanium chloride Openeye Name: [3-[(3,4-dimethyl-9H-thioxanthen-2-yl)oxy]-2-hydroxy-propyl]-trimethyl-ammonium chloride CAS Name: [3-[(3,4-dimethyl-9H-thioxanthen-2-yl)oxy]-2-hydroxypropyl]-trimethylammonium chloride IUPAC Name: [3-[(3,4-dimethyl-9H-thioxanthen-2-yl)oxy]-2-hydroxypropyl]-trimethylazanium chloride Traditional Name: [3-[(3,4-dimethyl-9H-thioxanthen-2-yl)oxy]-2-hydroxy-propyl]-trimethyl-ammonium chloride Formula: C21H28ClNO2S MolecularWeight: 393.97052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CC3=CC=CC=C3SC2=C1C)OCC(C[N+](C)(C)C)O.[Cl-]

Isomeric SMILES

CC1=C(C=C2CC3=CC=CC=C3SC2=C1C)OCC(C[N+](C)(C)C)O.[Cl-]

InChI

InChI=1S/C21H28NO2S.ClH/c1-14-15(2)21-17(10-16-8-6-7-9-20(16)25-21)11-19(14)24-13-18(23)12-22(3,4)5;/h6-9,11,18,23H,10,12-13H2,1-5H3;1H/q+1;/p-1