diethyl 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: diethyl 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[3-(4-morpholin-4-iumyl)propylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C22H31N3O5+2 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5/c1-3-29-21(26)16-6-7-19-17(14-16)20(18(15-24-19)22(27)30-4-2)23-8-5-9-25-10-12-28-13-11-25/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,23,24)/p+2