[3-(1-chloranyl-3,4-dimethyl-9-oxidanylidene-thioxanthen-2-yl)oxy-2-oxidanyl-propyl]-trimethyl-azanium

Systemtic Name: [3-(1-chloranyl-3,4-dimethyl-9-oxidanylidene-thioxanthen-2-yl)oxy-2-oxidanyl-propyl]-trimethyl-azanium Openeye Name: [3-(1-chloro-3,4-dimethyl-9-oxo-thioxanthen-2-yl)oxy-2-hydroxy-propyl]-trimethyl-ammonium CAS Name: [3-[(1-chloro-3,4-dimethyl-9-oxo-2-thioxanthenyl)oxy]-2-hydroxypropyl]-trimethylammonium IUPAC Name: [3-(1-chloro-3,4-dimethyl-9-oxothioxanthen-2-yl)oxy-2-hydroxypropyl]-trimethylazanium Traditional Name: [3-(1-chloro-9-keto-3,4-dimethyl-thioxanthen-2-yl)oxy-2-hydroxy-propyl]-trimethyl-ammonium Formula: C21H25ClNO3S+ MolecularWeight: 406.9461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1OCC(C[N+](C)(C)C)O)Cl)C(=O)C3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C2=C(C(=C1OCC(C[N+](C)(C)C)O)Cl)C(=O)C3=CC=CC=C3S2)C

InChI

InChI=1S/C21H25ClNO3S/c1-12-13(2)21-17(19(25)15-8-6-7-9-16(15)27-21)18(22)20(12)26-11-14(24)10-23(3,4)5/h6-9,14,24H,10-11H2,1-5H3/q+1