[6-(dimethylamino)-9-(2-methoxycarbonylphenyl)thioxanthen-3-ylidene]-dimethyl-azanium chloride

Systemtic Name: [6-(dimethylamino)-9-(2-methoxycarbonylphenyl)thioxanthen-3-ylidene]-dimethyl-azanium chloride Openeye Name: [6-(dimethylamino)-9-(2-methoxycarbonylphenyl)thioxanthen-3-ylidene]-dimethyl-ammonium chloride CAS Name: [6-(dimethylamino)-9-(2-methoxycarbonylphenyl)-3-thioxanthenylidene]-dimethylammonium chloride IUPAC Name: [6-(dimethylamino)-9-(2-methoxycarbonylphenyl)thioxanthen-3-ylidene]-dimethylazanium chloride Traditional Name: [9-(2-carbomethoxyphenyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium chloride Formula: C25H25ClN2O2S MolecularWeight: 452.9962

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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=C4C(=O)OC.[Cl-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)C4=CC=CC=C4C(=O)OC.[Cl-]

InChI

InChI=1S/C25H25N2O2S.ClH/c1-26(2)16-10-12-20-22(14-16)30-23-15-17(27(3)4)11-13-21(23)24(20)18-8-6-7-9-19(18)25(28)29-5;/h6-15H,1-5H3;1H/q+1;/p-1