[9-(4-carboxy-1-methyl-benzotriazol-5-yl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-(4-carboxy-1-methyl-benzotriazol-5-yl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-(4-carboxy-1-methyl-benzotriazol-5-yl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-(4-carboxy-1-methyl-5-benzotriazolyl)-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium IUPAC Name: [9-(4-carboxy-1-methylbenzotriazol-5-yl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium Traditional Name: [9-(4-carboxy-1-methyl-benzotriazol-5-yl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium Formula: C25H24N5O3+ MolecularWeight: 442.48976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C(C=C2)C3=C4C=CC(=[N+](C)C)C=C4OC5=C3C=CC(=C5)N(C)C)C(=O)O)N=N1

Isomeric SMILES

CN1C2=C(C(=C(C=C2)C3=C4C=CC(=[N+](C)C)C=C4OC5=C3C=CC(=C5)N(C)C)C(=O)O)N=N1

InChI

InChI=1S/C25H23N5O3/c1-28(2)14-6-8-16-20(12-14)33-21-13-15(29(3)4)7-9-17(21)22(16)18-10-11-19-24(23(18)25(31)32)26-27-30(19)5/h6-13H,1-5H3/p+1