diethyl 4-(5-oxidanylpentylamino)quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: diethyl 4-(5-oxidanylpentylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-(5-hydroxypentylamino)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-(5-hydroxypentylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(5-hydroxypentylamino)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(5-hydroxypentylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C20H27N2O5+ MolecularWeight: 375.43878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5/c1-3-26-19(24)14-8-9-17-15(12-14)18(21-10-6-5-7-11-23)16(13-22-17)20(25)27-4-2/h8-9,12-13,23H,3-7,10-11H2,1-2H3,(H,21,22)/p+1