[8-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium

Systemtic Name: [8-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium Openeye Name: [8-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium CAS Name: [8-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]-ethylammonium IUPAC Name: [8-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium Traditional Name: [8-(2-carbethoxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium Formula: C28H31N2O3+ MolecularWeight: 443.55734

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C3C=C(C(=[NH+]CC)C=C3O2)C)C(=C1C)C4=CC=CC=C4C(=O)OCC

Isomeric SMILES

CCNC1=CC2=C(C=C3C=C(C(=[NH+]CC)C=C3O2)C)C(=C1C)C4=CC=CC=C4C(=O)OCC

InChI

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