[6-azanyl-9-(2-ethoxycarbonylphenyl)-7-methyl-xanthen-3-ylidene]-dimethyl-azanium chloride

Systemtic Name: [6-azanyl-9-(2-ethoxycarbonylphenyl)-7-methyl-xanthen-3-ylidene]-dimethyl-azanium chloride Openeye Name: [6-amino-9-(2-ethoxycarbonylphenyl)-7-methyl-xanthen-3-ylidene]-dimethyl-ammonium chloride CAS Name: [6-amino-9-(2-ethoxycarbonylphenyl)-7-methyl-3-xanthenylidene]-dimethylammonium chloride IUPAC Name: [6-amino-9-(2-ethoxycarbonylphenyl)-7-methylxanthen-3-ylidene]-dimethylazanium chloride Traditional Name: [6-amino-9-(2-carbethoxyphenyl)-7-methyl-xanthen-3-ylidene]-dimethyl-ammonium chloride Formula: C25H25ClN2O3 MolecularWeight: 436.9306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=CC(=C(C=C42)C)N.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=CC(=C(C=C42)C)N.[Cl-]

InChI

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