[6-(dimethylamino)-9-(3-phenoxypropyl)thioxanthen-3-ylidene]-dimethyl-azanium hexafluorophosphate

Systemtic Name: [6-(dimethylamino)-9-(3-phenoxypropyl)thioxanthen-3-ylidene]-dimethyl-azanium hexafluorophosphate Openeye Name: [6-(dimethylamino)-9-(3-phenoxypropyl)thioxanthen-3-ylidene]-dimethyl-ammonium hexafluorophosphate CAS Name: [6-(dimethylamino)-9-(3-phenoxypropyl)-3-thioxanthenylidene]-dimethylammonium hexafluorophosphate IUPAC Name: [6-(dimethylamino)-9-(3-phenoxypropyl)thioxanthen-3-ylidene]-dimethylazanium hexafluorophosphate Traditional Name: [6-(dimethylamino)-9-(3-phenoxypropyl)thioxanthen-3-ylidene]-dimethyl-ammonium hexafluorophosphate Formula: C26H29F6N2OPS MolecularWeight: 562.55044

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)CCCOC4=CC=CC=C4.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)CCCOC4=CC=CC=C4.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C26H29N2OS.F6P/c1-27(2)19-12-14-23-22(11-8-16-29-21-9-6-5-7-10-21)24-15-13-20(28(3)4)18-26(24)30-25(23)17-19;1-7(2,3,4,5)6/h5-7,9-10,12-15,17-18H,8,11,16H2,1-4H3;/q+1;-1