trimethyl-[3-[[1-methyl-5,9-bis(oxidanylidene)-6H-thioxanthen-4-yl]oxy]-2-oxidanyl-propyl]azanium

Systemtic Name: trimethyl-[3-[[1-methyl-5,9-bis(oxidanylidene)-6H-thioxanthen-4-yl]oxy]-2-oxidanyl-propyl]azanium Openeye Name: [2-hydroxy-3-[(1-methyl-5,9-dioxo-6H-thioxanthen-4-yl)oxy]propyl]-trimethyl-ammonium CAS Name: [2-hydroxy-3-[(1-methyl-5,9-dioxo-6H-thioxanthen-4-yl)oxy]propyl]-trimethylammonium IUPAC Name: [2-hydroxy-3-[(1-methyl-5,9-dioxo-6H-thioxanthen-4-yl)oxy]propyl]-trimethylazanium Traditional Name: [3-[(5,9-diketo-1-methyl-6H-thioxanthen-4-yl)oxy]-2-hydroxy-propyl]-trimethyl-ammonium Formula: C20H24NO4S+ MolecularWeight: 374.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OCC(C[N+](C)(C)C)O)SC3=C(C2=O)C=CCC3=O

Isomeric SMILES

CC1=C2C(=C(C=C1)OCC(C[N+](C)(C)C)O)SC3=C(C2=O)C=CCC3=O

InChI

InChI=1S/C20H24NO4S/c1-12-8-9-16(25-11-13(22)10-21(2,3)4)20-17(12)18(24)14-6-5-7-15(23)19(14)26-20/h5-6,8-9,13,22H,7,10-11H2,1-4H3/q+1