dimethyl 5-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(4-propyl-1-pyridin-1-iumyl)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H23N2O5+ MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H22N2O5/c1-4-5-14-6-8-22(9-7-14)13-18(23)21-17-11-15(19(24)26-2)10-16(12-17)20(25)27-3/h6-12H,4-5,13H2,1-3H3/p+1