[9-(4-azanyl-2-carboxy-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium chloride

Systemtic Name: [9-(4-azanyl-2-carboxy-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium chloride Openeye Name: [9-(4-amino-2-carboxy-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium chloride CAS Name: [9-(4-amino-2-carboxyphenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium chloride IUPAC Name: [9-(4-amino-2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium chloride Traditional Name: [9-(4-amino-2-carboxy-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium chloride Formula: C28H32ClN3O3 MolecularWeight: 494.02498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O3.ClH/c1-5-30(6-2)19-10-13-22-25(16-19)34-26-17-20(31(7-3)8-4)11-14-23(26)27(22)21-12-9-18(29)15-24(21)28(32)33;/h9-17,29H,5-8H2,1-4H3,(H,32,33);1H