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

Systemtic Name: trimethyl-[3-(1-methyl-9-oxidanylidene-thioxanthen-4-yl)oxy-2-oxidanyl-propyl]azanium chloride Openeye Name: [2-hydroxy-3-(1-methyl-9-oxo-thioxanthen-4-yl)oxy-propyl]-trimethyl-ammonium chloride CAS Name: [2-hydroxy-3-[(1-methyl-9-oxo-4-thioxanthenyl)oxy]propyl]-trimethylammonium chloride IUPAC Name: [2-hydroxy-3-(1-methyl-9-oxothioxanthen-4-yl)oxypropyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-3-(9-keto-1-methyl-thioxanthen-4-yl)oxy-propyl]-trimethyl-ammonium chloride Formula: C20H24ClNO3S MolecularWeight: 393.92746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OCC(C[N+](C)(C)C)O)SC3=CC=CC=C3C2=O.[Cl-]

Isomeric SMILES

CC1=C2C(=C(C=C1)OCC(C[N+](C)(C)C)O)SC3=CC=CC=C3C2=O.[Cl-]

InChI

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