trimethyl-[2-oxidanyl-3-(1,3,4-trimethyl-9-oxidanylidene-thioxanthen-2-yl)oxy-propyl]azanium chloride

Systemtic Name: trimethyl-[2-oxidanyl-3-(1,3,4-trimethyl-9-oxidanylidene-thioxanthen-2-yl)oxy-propyl]azanium chloride Openeye Name: [2-hydroxy-3-(1,3,4-trimethyl-9-oxo-thioxanthen-2-yl)oxy-propyl]-trimethyl-ammonium chloride CAS Name: [2-hydroxy-3-[(1,3,4-trimethyl-9-oxo-2-thioxanthenyl)oxy]propyl]-trimethylammonium chloride IUPAC Name: [2-hydroxy-3-(1,3,4-trimethyl-9-oxothioxanthen-2-yl)oxypropyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-3-(9-keto-1,3,4-trimethyl-thioxanthen-2-yl)oxy-propyl]-trimethyl-ammonium chloride Formula: C22H28ClNO3S MolecularWeight: 421.98062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO3S.ClH/c1-13-14(2)22-19(20(25)17-9-7-8-10-18(17)27-22)15(3)21(13)26-12-16(24)11-23(4,5)6;/h7-10,16,24H,11-12H2,1-6H3;1H/q+1;/p-1