[9-(4-aminocarbonyl-2-carboxy-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-(4-aminocarbonyl-2-carboxy-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-(4-carbamoyl-2-carboxy-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-(4-carbamoyl-2-carboxyphenyl)-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium IUPAC Name: [9-(4-carbamoyl-2-carboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium Traditional Name: [9-(4-carbamoyl-2-carboxy-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium Formula: C25H24N3O4+ MolecularWeight: 430.47576

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)N)C(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)N)C(=O)O

InChI

InChI=1S/C25H23N3O4/c1-27(2)15-6-9-18-21(12-15)32-22-13-16(28(3)4)7-10-19(22)23(18)17-8-5-14(24(26)29)11-20(17)25(30)31/h5-13H,1-4H3,(H2-,26,29,30,31)/p+1