trimethyl-[2-oxidanyl-3-(9-oxidanylidenethioxanthen-2-yl)oxy-propyl]azanium chloride

Systemtic Name: trimethyl-[2-oxidanyl-3-(9-oxidanylidenethioxanthen-2-yl)oxy-propyl]azanium chloride Openeye Name: [2-hydroxy-3-(9-oxothioxanthen-2-yl)oxy-propyl]-trimethyl-ammonium chloride CAS Name: [2-hydroxy-3-[(9-oxo-2-thioxanthenyl)oxy]propyl]-trimethylammonium chloride IUPAC Name: [2-hydroxy-3-(9-oxothioxanthen-2-yl)oxypropyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-3-(9-ketothioxanthen-2-yl)oxy-propyl]-trimethyl-ammonium chloride Formula: C19H22ClNO3S MolecularWeight: 379.90088

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(COC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O)O.[Cl-]

Isomeric SMILES

C[N+](C)(C)CC(COC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O)O.[Cl-]

InChI

InChI=1S/C19H22NO3S.ClH/c1-20(2,3)11-13(21)12-23-14-8-9-18-16(10-14)19(22)15-6-4-5-7-17(15)24-18;/h4-10,13,21H,11-12H2,1-3H3;1H/q+1;/p-1