[9-(2-carboxyphenyl)-6-(dimethylamino)-8-(2-iodanylethanoylamino)xanthen-3-ylidene]-dimethyl-azanium chloride

Systemtic Name: [9-(2-carboxyphenyl)-6-(dimethylamino)-8-(2-iodanylethanoylamino)xanthen-3-ylidene]-dimethyl-azanium chloride Openeye Name: [9-(2-carboxyphenyl)-6-(dimethylamino)-8-[(2-iodoacetyl)amino]xanthen-3-ylidene]-dimethyl-ammonium chloride CAS Name: [9-(2-carboxyphenyl)-6-(dimethylamino)-8-[(2-iodo-1-oxoethyl)amino]-3-xanthenylidene]-dimethylammonium chloride IUPAC Name: [9-(2-carboxyphenyl)-6-(dimethylamino)-8-[(2-iodoacetyl)amino]xanthen-3-ylidene]-dimethylazanium chloride Traditional Name: [9-(2-carboxyphenyl)-6-(dimethylamino)-8-[(2-iodoacetyl)amino]xanthen-3-ylidene]-dimethyl-ammonium chloride Formula: C26H25ClIN3O4 MolecularWeight: 605.85187

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C2C(=C1)OC3=CC(=[N+](C)C)C=CC3=C2C4=CC=CC=C4C(=O)O)NC(=O)CI.[Cl-]

Isomeric SMILES

CN(C)C1=CC(=C2C(=C1)OC3=CC(=[N+](C)C)C=CC3=C2C4=CC=CC=C4C(=O)O)NC(=O)CI.[Cl-]

InChI

InChI=1S/C26H24IN3O4.ClH/c1-29(2)15-9-10-19-21(12-15)34-22-13-16(30(3)4)11-20(28-23(31)14-27)25(22)24(19)17-7-5-6-8-18(17)26(32)33;/h5-13H,14H2,1-4H3,(H,32,33);1H