diethyl 4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3,6-dicarboxylate

Systemtic Name: diethyl 4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3,6-dicarboxylate Openeye Name: diethyl 4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3,6-dicarboxylate CAS Name: 4-[2-(4-morpholin-4-iumyl)ethylamino]quinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3,6-dicarboxylate Traditional Name: 4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3,6-dicarboxylic acid diethyl ester Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O5/c1-3-28-20(25)15-5-6-18-16(13-15)19(17(14-23-18)21(26)29-4-2)22-7-8-24-9-11-27-12-10-24/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,22,23)/p+1