Molecule ID: 2762682

IUPAC Name: [6-(dimethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium;perchlorate

Description: The molecule is an organic perchlorate salt that has tetramethylrhodamine ethyl ester(1+) as the cation. It is used as a cell-permeant, cationic, red-orange fluorescent dye that is readily sequestered by active mitochondria. It has a role as a fluorochrome and a reagent. It is a xanthene dye and an organic perchlorate salt. It contains a tetramethylrhodamine ethyl ester(1+).

SMILES: CCOC(=O)c1ccccc1-c1c2ccc(N(C)C)cc2[o+]c2cc(N(C)C)ccc12.[O-][Cl+3]([O-])([O-])[O-]

SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][Ring1][=Branch2][=O+1][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch2].[O-1][Cl+3][Branch1][C][O-1][Branch1][C][O-1][O-1]

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

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: nan