O3-ethyl O6-methyl 4-(furan-2-ylmethylamino)quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-(furan-2-ylmethylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-(2-furylmethylamino)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-(2-furanylmethylamino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-(furan-2-ylmethylamino)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(2-furfurylamino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C19H19N2O5+ MolecularWeight: 355.36456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC3=CC=CO3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC3=CC=CO3)C(=O)OC

InChI

InChI=1S/C19H18N2O5/c1-3-25-19(23)15-11-20-16-7-6-12(18(22)24-2)9-14(16)17(15)21-10-13-5-4-8-26-13/h4-9,11H,3,10H2,1-2H3,(H,20,21)/p+1