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

Systemtic Name: [6-(dimethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-dimethyl-azanium perchlorate Openeye Name: [6-(dimethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-dimethyl-ammonium perchlorate CAS Name: [6-(dimethylamino)-9-(2-ethoxycarbonylphenyl)-3-xanthenylidene]-dimethylammonium perchlorate IUPAC Name: [6-(dimethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium perchlorate Traditional Name: [9-(2-carbethoxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium perchlorate Formula: C26H27ClN2O7 MolecularWeight: 514.95478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C26H27N2O3.ClHO4/c1-6-30-26(29)20-10-8-7-9-19(20)25-21-13-11-17(27(2)3)15-23(21)31-24-16-18(28(4)5)12-14-22(24)25;2-1(3,4)5/h7-16H,6H2,1-5H3;(H,2,3,4,5)/q+1;/p-1