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

Systemtic Name: ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium chloride Openeye Name: ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]ammonium chloride CAS Name: ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-3-xanthenylidene]ammonium chloride IUPAC Name: ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium chloride Traditional Name: [9-(2-carbomethoxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethyl-ammonium chloride Formula: C25H25ClN2O3 MolecularWeight: 436.9306

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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)OC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O3.ClH/c1-4-26-16-10-12-20-22(14-16)30-23-15-17(27-5-2)11-13-21(23)24(20)18-8-6-7-9-19(18)25(28)29-3;/h6-15,26H,4-5H2,1-3H3;1H