dimethyl-[2-oxidanylidene-2-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-oxidanylidene-2-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]ethyl]azanium Openeye Name: dimethyl-[2-oxo-2-[[(2R)-7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl]methylamino]ethyl]ammonium CAS Name: dimethyl-[2-oxo-2-[[(2R)-7-(2-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methylamino]ethyl]ammonium IUPAC Name: dimethyl-[2-oxo-2-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]ethyl]azanium Traditional Name: [2-keto-2-[[(2R)-7-(2-pyrimidyl)coumaran-2-yl]methylamino]ethyl]-dimethyl-ammonium Formula: C17H21N4O2+ MolecularWeight: 313.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(=O)NCC1CC2=CC=CC(=C2O1)C3=NC=CC=N3

Isomeric SMILES

C[NH+](C)CC(=O)NC[C@H]1CC2=CC=CC(=C2O1)C3=NC=CC=N3

InChI

InChI=1S/C17H20N4O2/c1-21(2)11-15(22)20-10-13-9-12-5-3-6-14(16(12)23-13)17-18-7-4-8-19-17/h3-8,13H,9-11H2,1-2H3,(H,20,22)/p+1/t13-/m1/s1