ethyl 4-(furan-2-ylmethylamino)benzo[h]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(furan-2-ylmethylamino)benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(2-furylmethylamino)benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-(2-furanylmethylamino)-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-ylmethylamino)benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-(2-furfurylamino)benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C21H19N2O3+ MolecularWeight: 347.38716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C1NCC3=CC=CO3)C=CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NCC3=CC=CO3)C=CC4=CC=CC=C42

InChI

InChI=1S/C21H18N2O3/c1-2-25-21(24)18-13-23-19-16-8-4-3-6-14(16)9-10-17(19)20(18)22-12-15-7-5-11-26-15/h3-11,13H,2,12H2,1H3,(H,22,23)/p+1