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

Systemtic Name: dimethyl 2-[2-(azocan-1-ium-1-yl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(1-azocan-1-iumyl)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H27N2O5+ MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C19H26N2O5/c1-25-18(23)14-8-9-15(19(24)26-2)16(12-14)20-17(22)13-21-10-6-4-3-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,20,22)/p+1