ethyl 5-[[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxidanylidene-pyridazin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxidanylidene-pyridazin-1-yl]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxo-pyridazin-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxo-1-pyridazinyl]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[6-keto-4-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-1-yl]methyl]furan-2-carboxylic acid ethyl ester Formula: C18H25N4O4+ MolecularWeight: 361.4155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C18H24N4O4/c1-3-25-18(24)16-6-5-15(26-16)13-22-17(23)11-14(12-19-22)21-8-4-7-20(2)9-10-21/h5-6,11-12H,3-4,7-10,13H2,1-2H3/p+1