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

Systemtic Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethyl-azanium chloride Openeye Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethyl-ammonium chloride CAS Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-3-xanthenylidene]-ethylammonium chloride IUPAC Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethylazanium chloride Traditional Name: [9-(2-carbethoxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethyl-ammonium chloride Formula: C26H27ClN2O3 MolecularWeight: 450.95718

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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)OCC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3.ClH/c1-4-27-17-11-13-21-23(15-17)31-24-16-18(28-5-2)12-14-22(24)25(21)19-9-7-8-10-20(19)26(29)30-6-3;/h7-16,27H,4-6H2,1-3H3;1H