[9-(2-carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethyl-azanium chloride

Systemtic Name: [9-(2-carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethyl-azanium chloride Openeye Name: [9-(2-carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethyl-ammonium chloride CAS Name: [9-(2-carboxyphenyl)-6-(ethylamino)-3-xanthenylidene]-ethylammonium chloride IUPAC Name: [9-(2-carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethylazanium chloride Traditional Name: [9-(2-carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethyl-ammonium chloride Formula: C24H23ClN2O3 MolecularWeight: 422.90402

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1)C(=C3C=CC(=[NH+]CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]

Isomeric SMILES

CCNC1=CC2=C(C=C1)C(=C3C=CC(=[NH+]CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]

InChI

InChI=1S/C24H22N2O3.ClH/c1-3-25-15-9-11-19-21(13-15)29-22-14-16(26-4-2)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;/h5-14,25H,3-4H2,1-2H3,(H,27,28);1H