[9-(2-carboxy-4,5-dimethyl-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-(2-carboxy-4,5-dimethyl-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-(2-carboxy-4,5-dimethyl-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-(2-carboxy-4,5-dimethylphenyl)-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium IUPAC Name: [9-(2-carboxy-4,5-dimethylphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium Traditional Name: [9-(2-carboxy-4,5-dimethyl-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C)C(=O)O)C

InChI

InChI=1S/C26H26N2O3/c1-15-11-21(22(26(29)30)12-16(15)2)25-19-9-7-17(27(3)4)13-23(19)31-24-14-18(28(5)6)8-10-20(24)25/h7-14H,1-6H3/p+1