[9-(2-carboxyethyl)-6-(dimethylamino)-2,3-dihydroxanthen-1-ylidene]-dimethyl-azanium chloride

Systemtic Name: [9-(2-carboxyethyl)-6-(dimethylamino)-2,3-dihydroxanthen-1-ylidene]-dimethyl-azanium chloride Openeye Name: [9-(2-carboxyethyl)-6-(dimethylamino)-2,3-dihydroxanthen-1-ylidene]-dimethyl-ammonium chloride CAS Name: [9-(2-carboxyethyl)-6-(dimethylamino)-2,3-dihydroxanthen-1-ylidene]-dimethylammonium chloride IUPAC Name: [9-(2-carboxyethyl)-6-(dimethylamino)-2,3-dihydroxanthen-1-ylidene]-dimethylazanium chloride Traditional Name: [9-(2-carboxyethyl)-6-(dimethylamino)-2,3-dihydroxanthen-1-ylidene]-dimethyl-ammonium chloride Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C(=[N+](C)C)CCC=C3O2)CCC(=O)O.[Cl-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C(=[N+](C)C)CCC=C3O2)CCC(=O)O.[Cl-]

InChI

InChI=1S/C20H24N2O3.ClH/c1-21(2)13-8-9-14-15(10-11-19(23)24)20-16(22(3)4)6-5-7-17(20)25-18(14)12-13;/h7-9,12H,5-6,10-11H2,1-4H3;1H