[4-[3,6-bis(dimethylamino)thioxanthen-9-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium bromide

Systemtic Name: [4-[3,6-bis(dimethylamino)thioxanthen-9-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium bromide Openeye Name: [4-[3,6-bis(dimethylamino)thioxanthen-9-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium bromide CAS Name: [4-[3,6-bis(dimethylamino)-9-thioxanthenylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium bromide IUPAC Name: [4-[3,6-bis(dimethylamino)thioxanthen-9-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium bromide Traditional Name: [4-[3,6-bis(dimethylamino)thioxanthen-9-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium bromide Formula: C25H28BrN3S MolecularWeight: 482.47892

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3)C4=C(S2)C=C(C=C4)N(C)C.[Br-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3)C4=C(S2)C=C(C=C4)N(C)C.[Br-]

InChI

InChI=1S/C25H28N3S.BrH/c1-26(2)18-9-7-17(8-10-18)25-21-13-11-19(27(3)4)15-23(21)29-24-16-20(28(5)6)12-14-22(24)25;/h7-16H,1-6H3;1H/q+1;/p-1