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

Systemtic Name: diethyl 4-(3-cyclohexylcarbonyloxypropylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-[3-(cyclohexanecarbonyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[3-[cyclohexyl(oxo)methoxy]propylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(cyclohexanecarbonyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-[3-(cyclohexanecarbonyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C25H33N2O6+ MolecularWeight: 457.53932

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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)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCCOC(=O)C3CCCCC3

InChI

InChI=1S/C25H32N2O6/c1-3-31-24(29)18-11-12-21-19(15-18)22(20(16-27-21)25(30)32-4-2)26-13-8-14-33-23(28)17-9-6-5-7-10-17/h11-12,15-17H,3-10,13-14H2,1-2H3,(H,26,27)/p+1