diethyl 4-[3-(4-chlorophenyl)carbonyloxypropylamino]quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: diethyl 4-[3-(4-chlorophenyl)carbonyloxypropylamino]quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-[3-(4-chlorobenzoyl)oxypropylamino]quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[3-[(4-chlorophenyl)-oxomethoxy]propylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(4-chlorobenzoyl)oxypropylamino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-[3-(4-chlorobenzoyl)oxypropylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C25H26ClN2O6+ MolecularWeight: 485.93674

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O6/c1-3-32-24(30)17-8-11-21-19(14-17)22(20(15-28-21)25(31)33-4-2)27-12-5-13-34-23(29)16-6-9-18(26)10-7-16/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,27,28)/p+1