[2-[7-[2-(dimethylazaniumyl)ethanoyl]-9H-xanthen-2-yl]-2-oxidanylidene-ethyl]-dimethyl-azanium dichloride

Systemtic Name: [2-[7-[2-(dimethylazaniumyl)ethanoyl]-9H-xanthen-2-yl]-2-oxidanylidene-ethyl]-dimethyl-azanium dichloride Openeye Name: [2-[7-[2-(dimethylammonio)acetyl]-9H-xanthen-2-yl]-2-oxo-ethyl]-dimethyl-ammonium dichloride CAS Name: [2-[7-[2-(dimethylammonio)-1-oxoethyl]-9H-xanthen-2-yl]-2-oxoethyl]-dimethylammonium dichloride IUPAC Name: [2-[7-[2-(dimethylazaniumyl)acetyl]-9H-xanthen-2-yl]-2-oxoethyl]-dimethylazanium dichloride Traditional Name: [2-[7-[2-(dimethylammonio)acetyl]-9H-xanthen-2-yl]-2-keto-ethyl]-dimethyl-ammonium dichloride Formula: C21H26Cl2N2O3 MolecularWeight: 425.34874

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(=O)C1=CC2=C(C=C1)OC3=C(C2)C=C(C=C3)C(=O)C[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CC(=O)C1=CC2=C(C=C1)OC3=C(C2)C=C(C=C3)C(=O)C[NH+](C)C.[Cl-].[Cl-]

InChI

InChI=1S/C21H24N2O3.2ClH/c1-22(2)12-18(24)14-5-7-20-16(9-14)11-17-10-15(6-8-21(17)26-20)19(25)13-23(3)4;;/h5-10H,11-13H2,1-4H3;2*1H