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

Systemtic Name: diethyl 4-[3-(4-methylphenyl)carbonyloxypropylamino]quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-[3-(4-methylbenzoyl)oxypropylamino]quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[3-[(4-methylphenyl)-oxomethoxy]propylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(4-methylbenzoyl)oxypropylamino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3-p-toluoyloxypropylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C26H29N2O6+ MolecularWeight: 465.51826

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)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6/c1-4-32-25(30)19-11-12-22-20(15-19)23(21(16-28-22)26(31)33-5-2)27-13-6-14-34-24(29)18-9-7-17(3)8-10-18/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,27,28)/p+1