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

Systemtic Name: trimethyl-[3-(4-methyl-9-oxidanylidene-thioxanthen-2-yl)oxy-2-oxidanyl-propyl]azanium chloride Openeye Name: [2-hydroxy-3-(4-methyl-9-oxo-thioxanthen-2-yl)oxy-propyl]-trimethyl-ammonium chloride CAS Name: [2-hydroxy-3-[(4-methyl-9-oxo-2-thioxanthenyl)oxy]propyl]-trimethylammonium chloride IUPAC Name: [2-hydroxy-3-(4-methyl-9-oxothioxanthen-2-yl)oxypropyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-3-(9-keto-4-methyl-thioxanthen-2-yl)oxy-propyl]-trimethyl-ammonium chloride Formula: C20H24ClNO3S MolecularWeight: 393.92746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)OCC(C[N+](C)(C)C)O)C(=O)C3=CC=CC=C3S2.[Cl-]

Isomeric SMILES

CC1=C2C(=CC(=C1)OCC(C[N+](C)(C)C)O)C(=O)C3=CC=CC=C3S2.[Cl-]

InChI

InChI=1S/C20H24NO3S.ClH/c1-13-9-15(24-12-14(22)11-21(2,3)4)10-17-19(23)16-7-5-6-8-18(16)25-20(13)17;/h5-10,14,22H,11-12H2,1-4H3;1H/q+1;/p-1