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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-5-phenacyloxycarbonyl-isoindol-2-yl]ethyl-diethyl-azanium Openeye Name: 2-(1,3-dioxo-5-phenacyloxycarbonyl-isoindolin-2-yl)ethyl-diethyl-ammonium CAS Name: 2-[1,3-dioxo-5-[oxo(phenacyloxy)methyl]-2-isoindolyl]ethyl-diethylammonium IUPAC Name: 2-(1,3-dioxo-5-phenacyloxycarbonylisoindol-2-yl)ethyl-diethylazanium Traditional Name: 2-(1,3-diketo-5-phenacyloxycarbonyl-isoindolin-2-yl)ethyl-diethyl-ammonium Formula: C23H25N2O5+ MolecularWeight: 409.455

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5/c1-3-24(4-2)12-13-25-21(27)18-11-10-17(14-19(18)22(25)28)23(29)30-15-20(26)16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3/p+1