2-(4-chlorophenyl)-1-(ethylcarbamoyl)-3H-isoindol-2-ium-1,2-dicarboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-1-(ethylcarbamoyl)-3H-isoindol-2-ium-1,2-dicarboxylic acid Openeye Name: 2-(4-chlorophenyl)-1-(ethylcarbamoyl)isoindolin-2-ium-1,2-dicarboxylic acid CAS Name: 2-(4-chlorophenyl)-1-(ethylcarbamoyl)-3H-isoindol-2-ium-1,2-dicarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-1-(ethylcarbamoyl)-3H-isoindol-2-ium-1,2-dicarboxylic acid Traditional Name: 2-(4-chlorophenyl)-1-(ethylcarbamoyl)isoindolin-2-ium-1,2-dicarboxylic acid Formula: C19H18ClN2O5+ MolecularWeight: 389.80962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2C[N+]1(C3=CC=C(C=C3)Cl)C(=O)O)C(=O)O

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2C[N+]1(C3=CC=C(C=C3)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C19H17ClN2O5/c1-2-21-16(23)19(17(24)25)15-6-4-3-5-12(15)11-22(19,18(26)27)14-9-7-13(20)8-10-14/h3-10H,2,11H2,1H3,(H2-,21,23,24,25,26,27)/p+1