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

Systemtic Name: [3-(3,4-dimethyl-9-oxidanylidene-thioxanthen-2-yl)oxy-2-oxidanyl-propyl]-trimethyl-azanium chloride Openeye Name: [3-(3,4-dimethyl-9-oxo-thioxanthen-2-yl)oxy-2-hydroxy-propyl]-trimethyl-ammonium chloride CAS Name: [3-[(3,4-dimethyl-9-oxo-2-thioxanthenyl)oxy]-2-hydroxypropyl]-trimethylammonium chloride IUPAC Name: [3-(3,4-dimethyl-9-oxothioxanthen-2-yl)oxy-2-hydroxypropyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-3-(9-keto-3,4-dimethyl-thioxanthen-2-yl)oxy-propyl]-trimethyl-ammonium chloride Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C)SC3=CC=CC=C3C2=O)OCC(C[N+](C)(C)C)O.[Cl-]

Isomeric SMILES

CC1=C(C=C2C(=C1C)SC3=CC=CC=C3C2=O)OCC(C[N+](C)(C)C)O.[Cl-]

InChI

InChI=1S/C21H26NO3S.ClH/c1-13-14(2)21-17(20(24)16-8-6-7-9-19(16)26-21)10-18(13)25-12-15(23)11-22(3,4)5;/h6-10,15,23H,11-12H2,1-5H3;1H/q+1;/p-1