2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-methoxycarbonyl-phenyl-propanoyl-azanium

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-methoxycarbonyl-phenyl-propanoyl-azanium Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl-methoxycarbonyl-phenyl-propanoyl-ammonium CAS Name: 2-(1,3-dioxo-2-isoindolyl)ethyl-methoxycarbonyl-(1-oxopropyl)-phenylammonium IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl-methoxycarbonyl-phenyl-propanoylazanium Traditional Name: carbomethoxy-phenyl-(2-phthalimidoethyl)-propionyl-ammonium Formula: C21H21N2O5+ MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+](CCN1C(=O)C2=CC=CC=C2C1=O)(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(=O)[N+](CCN1C(=O)C2=CC=CC=C2C1=O)(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H21N2O5/c1-3-18(24)23(21(27)28-2,15-9-5-4-6-10-15)14-13-22-19(25)16-11-7-8-12-17(16)20(22)26/h4-12H,3,13-14H2,1-2H3/q+1