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

Systemtic Name: [3-[[3,4-dimethyl-5,9-bis(oxidanylidene)-6H-thioxanthen-2-yl]oxy]-2-oxidanyl-propyl]-trimethyl-azanium Openeye Name: [3-[(3,4-dimethyl-5,9-dioxo-6H-thioxanthen-2-yl)oxy]-2-hydroxy-propyl]-trimethyl-ammonium CAS Name: [3-[(3,4-dimethyl-5,9-dioxo-6H-thioxanthen-2-yl)oxy]-2-hydroxypropyl]-trimethylammonium IUPAC Name: [3-[(3,4-dimethyl-5,9-dioxo-6H-thioxanthen-2-yl)oxy]-2-hydroxypropyl]-trimethylazanium Traditional Name: [3-[(5,9-diketo-3,4-dimethyl-6H-thioxanthen-2-yl)oxy]-2-hydroxy-propyl]-trimethyl-ammonium Formula: C21H26NO4S+ MolecularWeight: 388.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C)SC3=C(C2=O)C=CCC3=O)OCC(C[N+](C)(C)C)O

Isomeric SMILES

CC1=C(C=C2C(=C1C)SC3=C(C2=O)C=CCC3=O)OCC(C[N+](C)(C)C)O

InChI

InChI=1S/C21H26NO4S/c1-12-13(2)20-16(9-18(12)26-11-14(23)10-22(3,4)5)19(25)15-7-6-8-17(24)21(15)27-20/h6-7,9,14,23H,8,10-11H2,1-5H3/q+1