O3-ethyl O8-methyl 4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3,8-dicarboxylate

Systemtic Name: O3-ethyl O8-methyl 4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3,8-dicarboxylate Openeye Name: O3-ethyl O8-methyl 4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3,8-dicarboxylate CAS Name: 4-[2-(4-morpholin-4-iumyl)ethylamino]quinoline-3,8-dicarboxylic acid O3-ethyl ester O8-methyl ester IUPAC Name: 3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3,8-dicarboxylate Traditional Name: 4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3,8-dicarboxylic acid O3-ethyl ester O8-methyl ester Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NCC[NH+]3CCOCC3)C=CC=C2C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NCC[NH+]3CCOCC3)C=CC=C2C(=O)OC

InChI

InChI=1S/C20H25N3O5/c1-3-28-20(25)16-13-22-17-14(5-4-6-15(17)19(24)26-2)18(16)21-7-8-23-9-11-27-12-10-23/h4-6,13H,3,7-12H2,1-2H3,(H,21,22)/p+1