[9-(5-azanyl-2-carboxy-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium chloride

Systemtic Name: [9-(5-azanyl-2-carboxy-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium chloride Openeye Name: [9-(5-amino-2-carboxy-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium chloride CAS Name: [9-(5-amino-2-carboxyphenyl)-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium chloride IUPAC Name: [9-(5-amino-2-carboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride Traditional Name: [9-(5-amino-2-carboxy-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium chloride Formula: C24H24ClN3O3 MolecularWeight: 437.91866

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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)C4=C(C=CC(=C4)N)C(=O)O.[Cl-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)N)C(=O)O.[Cl-]

InChI

InChI=1S/C24H23N3O3.ClH/c1-26(2)15-6-9-18-21(12-15)30-22-13-16(27(3)4)7-10-19(22)23(18)20-11-14(25)5-8-17(20)24(28)29;/h5-13H,25H2,1-4H3;1H