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

Systemtic Name: [9-(2-carboxyphenyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-azanium chloride Openeye Name: [9-(2-carboxyphenyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium chloride CAS Name: [9-(2-carboxyphenyl)-6-(dimethylamino)-3-thioxanthenylidene]-dimethylammonium chloride IUPAC Name: [9-(2-carboxyphenyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethylazanium chloride Traditional Name: [9-(2-carboxyphenyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium chloride Formula: C24H23ClN2O2S MolecularWeight: 438.96962

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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)O.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O2S.ClH/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;/h5-14H,1-4H3;1H