[6-(1-azanylethyl)-9-(2-ethoxycarbonylphenyl)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium chloride

Systemtic Name: [6-(1-azanylethyl)-9-(2-ethoxycarbonylphenyl)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium chloride Openeye Name: [6-(1-aminoethyl)-9-(2-ethoxycarbonylphenyl)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium chloride CAS Name: [6-(1-aminoethyl)-9-(2-ethoxycarbonylphenyl)-2,7-dimethyl-3-xanthenylidene]-ethylammonium chloride IUPAC Name: [6-(1-aminoethyl)-9-(2-ethoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]-ethylazanium chloride Traditional Name: [6-(1-aminoethyl)-9-(2-carbethoxyphenyl)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium chloride Formula: C28H31ClN2O3 MolecularWeight: 479.01034

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]=C1C=C2C(=C(C3=CC(=C(C=C3O2)C(C)N)C)C4=CC=CC=C4C(=O)OCC)C=C1C.[Cl-]

Isomeric SMILES

CC[NH+]=C1C=C2C(=C(C3=CC(=C(C=C3O2)C(C)N)C)C4=CC=CC=C4C(=O)OCC)C=C1C.[Cl-]

InChI

InChI=1S/C28H30N2O3.ClH/c1-6-30-24-15-26-23(13-17(24)4)27(19-10-8-9-11-20(19)28(31)32-7-2)22-12-16(3)21(18(5)29)14-25(22)33-26;/h8-15,18H,6-7,29H2,1-5H3;1H