[6-(dimethylamino)-9-(3-methoxyphenyl)thioxanthen-3-ylidene]-dimethyl-azanium bromide

Systemtic Name: [6-(dimethylamino)-9-(3-methoxyphenyl)thioxanthen-3-ylidene]-dimethyl-azanium bromide Openeye Name: [6-(dimethylamino)-9-(3-methoxyphenyl)thioxanthen-3-ylidene]-dimethyl-ammonium bromide CAS Name: [6-(dimethylamino)-9-(3-methoxyphenyl)-3-thioxanthenylidene]-dimethylammonium bromide IUPAC Name: [6-(dimethylamino)-9-(3-methoxyphenyl)thioxanthen-3-ylidene]-dimethylazanium bromide Traditional Name: [6-(dimethylamino)-9-(3-methoxyphenyl)thioxanthen-3-ylidene]-dimethyl-ammonium bromide Formula: C24H25BrN2OS MolecularWeight: 469.4371

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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)C4=CC(=CC=C4)OC.[Br-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)C4=CC(=CC=C4)OC.[Br-]

InChI

InChI=1S/C24H25N2OS.BrH/c1-25(2)17-9-11-20-22(14-17)28-23-15-18(26(3)4)10-12-21(23)24(20)16-7-6-8-19(13-16)27-5;/h6-15H,1-5H3;1H/q+1;/p-1