ethyl 4-(furan-2-ylmethylamino)-6-methoxy-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(furan-2-ylmethylamino)-6-methoxy-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(2-furylmethylamino)-6-methoxy-quinolin-1-ium-3-carboxylate CAS Name: 4-(2-furanylmethylamino)-6-methoxy-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-ylmethylamino)-6-methoxyquinolin-1-ium-3-carboxylate Traditional Name: 4-(2-furfurylamino)-6-methoxy-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H19N2O4+ MolecularWeight: 327.35446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4/c1-3-23-18(21)15-11-19-16-7-6-12(22-2)9-14(16)17(15)20-10-13-5-4-8-24-13/h4-9,11H,3,10H2,1-2H3,(H,19,20)/p+1