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

Systemtic Name: [9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethyl-azanium chloride Openeye Name: [9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethyl-ammonium chloride CAS Name: [9-(2-carboxyethyl)-6-(diethylamino)-3-xanthenylidene]-dimethylammonium chloride IUPAC Name: [9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethylazanium chloride Traditional Name: [9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethyl-ammonium chloride Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3.ClH/c1-5-24(6-2)16-8-10-19-17(11-12-22(25)26)18-9-7-15(23(3)4)13-20(18)27-21(19)14-16;/h7-10,13-14H,5-6,11-12H2,1-4H3;1H