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

Systemtic Name: diethyl 4-[3-(2-methylpropanoyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-[3-(2-methylpropanoyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[3-(2-methyl-1-oxopropoxy)propylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(2-methylpropanoyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3-isobutyryloxypropylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C22H29N2O6+ MolecularWeight: 417.47546

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6/c1-5-28-21(26)15-8-9-18-16(12-15)19(17(13-24-18)22(27)29-6-2)23-10-7-11-30-20(25)14(3)4/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,23,24)/p+1