2-[1,3-bis(oxidanylidene)-5-(2-oxidanylidene-2-thiophen-2-yl-ethoxy)carbonyl-isoindol-2-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[1,3-bis(oxidanylidene)-5-(2-oxidanylidene-2-thiophen-2-yl-ethoxy)carbonyl-isoindol-2-yl]ethyl-diethyl-azanium Openeye Name: 2-[1,3-dioxo-5-[2-oxo-2-(2-thienyl)ethoxy]carbonyl-isoindolin-2-yl]ethyl-diethyl-ammonium CAS Name: 2-[1,3-dioxo-5-[oxo-(2-oxo-2-thiophen-2-ylethoxy)methyl]-2-isoindolyl]ethyl-diethylammonium IUPAC Name: 2-[1,3-dioxo-5-(2-oxo-2-thiophen-2-ylethoxy)carbonylisoindol-2-yl]ethyl-diethylazanium Traditional Name: 2-[1,3-diketo-5-[2-keto-2-(2-thienyl)ethoxy]carbonyl-isoindolin-2-yl]ethyl-diethyl-ammonium Formula: C21H23N2O5S+ MolecularWeight: 415.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O5S/c1-3-22(4-2)9-10-23-19(25)15-8-7-14(12-16(15)20(23)26)21(27)28-13-17(24)18-6-5-11-29-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3/p+1