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

Systemtic Name: diethyl 4-(3-pyridin-4-ylcarbonyloxypropylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-[3-(pyridine-4-carbonyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[3-[oxo(pyridin-4-yl)methoxy]propylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(pyridine-4-carbonyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3-isonicotinoyloxypropylamino)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=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O6/c1-3-31-23(29)17-6-7-20-18(14-17)21(19(15-27-20)24(30)32-4-2)26-10-5-13-33-22(28)16-8-11-25-12-9-16/h6-9,11-12,14-15H,3-5,10,13H2,1-2H3,(H,26,27)/p+1