[8-(2-ethoxycarbonylphenyl)-5-(ethylamino)-2,6-dimethyl-xanthen-3-ylidene]-ethyl-azanium chloride

Systemtic Name: [8-(2-ethoxycarbonylphenyl)-5-(ethylamino)-2,6-dimethyl-xanthen-3-ylidene]-ethyl-azanium chloride Openeye Name: [8-(2-ethoxycarbonylphenyl)-5-(ethylamino)-2,6-dimethyl-xanthen-3-ylidene]-ethyl-ammonium chloride CAS Name: [8-(2-ethoxycarbonylphenyl)-5-(ethylamino)-2,6-dimethyl-3-xanthenylidene]-ethylammonium chloride IUPAC Name: [8-(2-ethoxycarbonylphenyl)-5-(ethylamino)-2,6-dimethylxanthen-3-ylidene]-ethylazanium chloride Traditional Name: [8-(2-carbethoxyphenyl)-5-(ethylamino)-2,6-dimethyl-xanthen-3-ylidene]-ethyl-ammonium chloride Formula: C28H31ClN2O3 MolecularWeight: 479.01034

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C2=C1OC3=CC(=[NH+]CC)C(=CC3=C2)C)C4=CC=CC=C4C(=O)OCC)C.[Cl-]

Isomeric SMILES

CCNC1=C(C=C(C2=C1OC3=CC(=[NH+]CC)C(=CC3=C2)C)C4=CC=CC=C4C(=O)OCC)C.[Cl-]

InChI

InChI=1S/C28H30N2O3.ClH/c1-6-29-24-16-25-19(13-17(24)4)15-23-22(14-18(5)26(30-7-2)27(23)33-25)20-11-9-10-12-21(20)28(31)32-8-3;/h9-16,30H,6-8H2,1-5H3;1H