diethyl 4-(3-thiophen-2-ylcarbonyloxypropylamino)quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: diethyl 4-(3-thiophen-2-ylcarbonyloxypropylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-[3-(thiophene-2-carbonyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[3-[oxo(thiophen-2-yl)methoxy]propylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(thiophene-2-carbonyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-[3-(2-thenoyloxy)propylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C23H25N2O6S+ MolecularWeight: 457.5194

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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=CS3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCCOC(=O)C3=CC=CS3

InChI

InChI=1S/C23H24N2O6S/c1-3-29-21(26)15-8-9-18-16(13-15)20(17(14-25-18)22(27)30-4-2)24-10-6-11-31-23(28)19-7-5-12-32-19/h5,7-9,12-14H,3-4,6,10-11H2,1-2H3,(H,24,25)/p+1