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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2CC[N+]1(C3=CC=C(C=C3)Cl)C(=O)O)C(=O)O

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2CC[N+]1(C3=CC=C(C=C3)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C20H19ClN2O5/c1-2-22-17(24)20(18(25)26)16-6-4-3-5-13(16)11-12-23(20,19(27)28)15-9-7-14(21)8-10-15/h3-10H,2,11-12H2,1H3,(H2-,22,24,25,26,27,28)/p+1