O3-ethyl O6-methyl 4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[2-(4-morpholin-4-iumyl)ethylamino]quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C20H27N3O5+2 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC[NH+]3CCOCC3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC[NH+]3CCOCC3)C(=O)OC

InChI

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