[8-[3-azanyl-2-carboxy-4-(methylamino)phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [8-[3-azanyl-2-carboxy-4-(methylamino)phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [8-[3-amino-2-carboxy-4-(methylamino)phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [8-[3-amino-2-carboxy-4-(methylamino)phenyl]-5-(dimethylamino)-3-xanthenylidene]-dimethylammonium IUPAC Name: [8-[3-amino-2-carboxy-4-(methylamino)phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethylazanium Traditional Name: [8-[3-amino-2-carboxy-4-(methylamino)phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=C(C=C1)C2=C3C=C4C=CC(=[N+](C)C)C=C4OC3=C(C=C2)N(C)C)C(=O)O)N

Isomeric SMILES

CNC1=C(C(=C(C=C1)C2=C3C=C4C=CC(=[N+](C)C)C=C4OC3=C(C=C2)N(C)C)C(=O)O)N

InChI

InChI=1S/C25H26N4O3/c1-27-19-10-8-17(22(23(19)26)25(30)31)16-9-11-20(29(4)5)24-18(16)12-14-6-7-15(28(2)3)13-21(14)32-24/h6-13H,26H2,1-5H3,(H,30,31)/p+1