dimethyl 2-(2-isoquinolin-2-ium-2-ylethanoylamino)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(2-isoquinolin-2-ium-2-ylethanoylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H19N2O5+ MolecularWeight: 379.38596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18N2O5/c1-27-20(25)15-7-8-17(21(26)28-2)18(11-15)22-19(24)13-23-10-9-14-5-3-4-6-16(14)12-23/h3-12H,13H2,1-2H3/p+1