diethyl 4-(3-pyridin-3-ylcarbonyloxypropylamino)quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: diethyl 4-(3-pyridin-3-ylcarbonyloxypropylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-[3-(pyridine-3-carbonyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[3-[oxo(3-pyridinyl)methoxy]propylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(pyridine-3-carbonyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3-nicotinoyloxypropylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C24H26N3O6+ MolecularWeight: 452.47974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCCOC(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCCOC(=O)C3=CN=CC=C3

InChI

InChI=1S/C24H25N3O6/c1-3-31-22(28)16-8-9-20-18(13-16)21(19(15-27-20)24(30)32-4-2)26-11-6-12-33-23(29)17-7-5-10-25-14-17/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H,26,27)/p+1