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

Systemtic Name: diethyl 4-(3-acetyloxypropylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-(3-acetoxypropylamino)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-(3-acetyloxypropylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-acetyloxypropylamino)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3-acetoxypropylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C20H25N2O6+ MolecularWeight: 389.4223

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6/c1-4-26-19(24)14-7-8-17-15(11-14)18(21-9-6-10-28-13(3)23)16(12-22-17)20(25)27-5-2/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,22)/p+1