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

Systemtic Name: 3-(ethylcarbamoyl)-2-(4-methoxyphenyl)-1-methyl-3H-isoindol-2-ium-1,2-dicarboxylic acid Openeye Name: 3-(ethylcarbamoyl)-2-(4-methoxyphenyl)-1-methyl-isoindolin-2-ium-1,2-dicarboxylic acid CAS Name: 3-(ethylcarbamoyl)-2-(4-methoxyphenyl)-1-methyl-3H-isoindol-2-ium-1,2-dicarboxylic acid IUPAC Name: 3-(ethylcarbamoyl)-2-(4-methoxyphenyl)-1-methyl-3H-isoindol-2-ium-1,2-dicarboxylic acid Traditional Name: 3-(ethylcarbamoyl)-2-(4-methoxyphenyl)-1-methyl-isoindolin-2-ium-1,2-dicarboxylic acid Formula: C21H23N2O6+ MolecularWeight: 399.41712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-4-22-18(24)17-15-7-5-6-8-16(15)21(2,19(25)26)23(17,20(27)28)13-9-11-14(29-3)12-10-13/h5-12,17H,4H2,1-3H3,(H2-,22,24,25,26,27,28)/p+1