1-(3,4-dimethyl-9-oxidanylidene-thioxanthen-2-yl)oxypropyl-trimethyl-azanium

Systemtic Name: 1-(3,4-dimethyl-9-oxidanylidene-thioxanthen-2-yl)oxypropyl-trimethyl-azanium Openeye Name: 1-(3,4-dimethyl-9-oxo-thioxanthen-2-yl)oxypropyl-trimethyl-ammonium CAS Name: 1-[(3,4-dimethyl-9-oxo-2-thioxanthenyl)oxy]propyl-trimethylammonium IUPAC Name: 1-(3,4-dimethyl-9-oxothioxanthen-2-yl)oxypropyl-trimethylazanium Traditional Name: 1-(9-keto-3,4-dimethyl-thioxanthen-2-yl)oxypropyl-trimethyl-ammonium Formula: C21H26NO2S+ MolecularWeight: 356.50164

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Descriptors Computed from Structure

Canonical SMILES:

CCC([N+](C)(C)C)OC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3S2)C)C

Isomeric SMILES

CCC([N+](C)(C)C)OC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3S2)C)C

InChI

InChI=1S/C21H26NO2S/c1-7-19(22(4,5)6)24-17-12-16-20(23)15-10-8-9-11-18(15)25-21(16)14(3)13(17)2/h8-12,19H,7H2,1-6H3/q+1