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

Systemtic Name: 2-(4-chlorophenyl)-3-(ethylcarbamoyl)-1-methyl-3H-isoindol-2-ium-1,2-dicarboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-(ethylcarbamoyl)-1-methyl-isoindolin-2-ium-1,2-dicarboxylic acid CAS Name: 2-(4-chlorophenyl)-3-(ethylcarbamoyl)-1-methyl-3H-isoindol-2-ium-1,2-dicarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-(ethylcarbamoyl)-1-methyl-3H-isoindol-2-ium-1,2-dicarboxylic acid Traditional Name: 2-(4-chlorophenyl)-3-(ethylcarbamoyl)-1-methyl-isoindolin-2-ium-1,2-dicarboxylic acid Formula: C20H20ClN2O5+ MolecularWeight: 403.8362

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C2=CC=CC=C2C([N+]1(C3=CC=C(C=C3)Cl)C(=O)O)(C)C(=O)O

Isomeric SMILES

CCNC(=O)C1C2=CC=CC=C2C([N+]1(C3=CC=C(C=C3)Cl)C(=O)O)(C)C(=O)O

InChI

InChI=1S/C20H19ClN2O5/c1-3-22-17(24)16-14-6-4-5-7-15(14)20(2,18(25)26)23(16,19(27)28)13-10-8-12(21)9-11-13/h4-11,16H,3H2,1-2H3,(H2-,22,24,25,26,27,28)/p+1