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

Systemtic Name: ethyl 6-bromanyl-4-(furan-2-ylmethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-bromo-4-(2-furylmethylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-bromo-4-(2-furanylmethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(furan-2-ylmethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-bromo-4-(2-furfurylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C17H16BrN2O3+ MolecularWeight: 376.22454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O3/c1-2-22-17(21)14-10-19-15-6-5-11(18)8-13(15)16(14)20-9-12-4-3-7-23-12/h3-8,10H,2,9H2,1H3,(H,19,20)/p+1