O3-ethyl O6-methyl 4-(3-oxidanylpropylamino)quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-(3-oxidanylpropylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-(3-hydroxypropylamino)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-(3-hydroxypropylamino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-(3-hydroxypropylamino)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3-hydroxypropylamino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C17H21N2O5+ MolecularWeight: 333.35904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCCO)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCCO)C(=O)OC

InChI

InChI=1S/C17H20N2O5/c1-3-24-17(22)13-10-19-14-6-5-11(16(21)23-2)9-12(14)15(13)18-7-4-8-20/h5-6,9-10,20H,3-4,7-8H2,1-2H3,(H,18,19)/p+1