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

Systemtic Name: [3-[(3,4-dimethyl-9H-thioxanthen-2-yl)oxy]-2-oxidanyl-propyl]-trimethyl-azanium Openeye Name: [3-[(3,4-dimethyl-9H-thioxanthen-2-yl)oxy]-2-hydroxy-propyl]-trimethyl-ammonium CAS Name: [3-[(3,4-dimethyl-9H-thioxanthen-2-yl)oxy]-2-hydroxypropyl]-trimethylammonium IUPAC Name: [3-[(3,4-dimethyl-9H-thioxanthen-2-yl)oxy]-2-hydroxypropyl]-trimethylazanium Traditional Name: [3-[(3,4-dimethyl-9H-thioxanthen-2-yl)oxy]-2-hydroxy-propyl]-trimethyl-ammonium Formula: C21H28NO2S+ MolecularWeight: 358.51752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CC3=CC=CC=C3SC2=C1C)OCC(C[N+](C)(C)C)O

Isomeric SMILES

CC1=C(C=C2CC3=CC=CC=C3SC2=C1C)OCC(C[N+](C)(C)C)O

InChI

InChI=1S/C21H28NO2S/c1-14-15(2)21-17(10-16-8-6-7-9-20(16)25-21)11-19(14)24-13-18(23)12-22(3,4)5/h6-9,11,18,23H,10,12-13H2,1-5H3/q+1