(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(6-oxidanyl-6-oxidanylidene-hexyl)azanium

Systemtic Name: (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(6-oxidanyl-6-oxidanylidene-hexyl)azanium Openeye Name: (2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)-(6-hydroxy-6-oxo-hexyl)ammonium CAS Name: (2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)-(6-hydroxy-6-oxohexyl)ammonium IUPAC Name: (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(6-hydroxy-6-oxohexyl)azanium Traditional Name: (2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)-(6-hydroxy-6-keto-hexyl)ammonium Formula: C18H22N3O3+ MolecularWeight: 328.38558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH2+]CCCCCC(=O)O)OC3=CC=CC=C32

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH2+]CCCCCC(=O)O)OC3=CC=CC=C32

InChI

InChI=1S/C18H21N3O3/c1-2-14-20-16-12-8-5-6-9-13(12)24-17(16)18(21-14)19-11-7-3-4-10-15(22)23/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,22,23)(H,19,20,21)/p+1