diethyl 4-[3-(2,2-dimethylpropanoyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: diethyl 4-[3-(2,2-dimethylpropanoyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-[3-(2,2-dimethylpropanoyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[3-(2,2-dimethyl-1-oxopropoxy)propylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(2,2-dimethylpropanoyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3-pivaloyloxypropylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C23H31N2O6+ MolecularWeight: 431.50204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O6/c1-6-29-20(26)15-9-10-18-16(13-15)19(17(14-25-18)21(27)30-7-2)24-11-8-12-31-22(28)23(3,4)5/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,24,25)/p+1