[9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium chloride

Systemtic Name: [9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium chloride Openeye Name: [9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium chloride CAS Name: [9-(2-carboxyethyl)-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium chloride IUPAC Name: [9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride Traditional Name: [9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium chloride Formula: C20H23ClN2O3 MolecularWeight: 374.86122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3.ClH/c1-21(2)13-5-7-16-15(9-10-20(23)24)17-8-6-14(22(3)4)12-19(17)25-18(16)11-13;/h5-8,11-12H,9-10H2,1-4H3;1H