dimethyl 2-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C24H23N2O5+ MolecularWeight: 419.44982

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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=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H22N2O5/c1-30-23(28)19-8-9-20(24(29)31-2)21(15-19)25-22(27)16-26-12-10-18(11-13-26)14-17-6-4-3-5-7-17/h3-13,15H,14,16H2,1-2H3/p+1