[6-(dimethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethyl-azanium perchlorate

Systemtic Name: [6-(dimethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethyl-azanium perchlorate Openeye Name: [6-(dimethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethyl-ammonium perchlorate CAS Name: [6-(dimethylamino)-9-(2-methoxycarbonylphenyl)-3-xanthenylidene]-dimethylammonium perchlorate IUPAC Name: [6-(dimethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium perchlorate Traditional Name: [9-(2-carbomethoxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium perchlorate Formula: C25H25ClN2O7 MolecularWeight: 500.9282

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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=CC=CC=C4C(=O)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H25N2O3.ClHO4/c1-26(2)16-10-12-20-22(14-16)30-23-15-17(27(3)4)11-13-21(23)24(20)18-8-6-7-9-19(18)25(28)29-5;2-1(3,4)5/h6-15H,1-5H3;(H,2,3,4,5)/q+1;/p-1