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

Systemtic Name: dimethyl 2-(2-quinolin-1-ium-1-ylethanoylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(2-quinolin-1-ium-1-ylacetyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-(1-quinolin-1-iumyl)ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-quinolin-1-ium-1-ylacetyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2-quinolin-1-ium-1-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=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[N+]2=CC=CC3=CC=CC=C32

InChI

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