ethyl 4-[(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(4-keto-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H21N4O4+ MolecularWeight: 357.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

InChI

InChI=1S/C18H20N4O4/c1-2-25-18(24)22-9-7-21(8-10-22)11-14-19-15-12-5-3-4-6-13(12)26-16(15)17(23)20-14/h3-6H,2,7-11H2,1H3,(H,19,20,23)/p+1