(2S)-N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2-morpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-[[(2R)-7-chloro-5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(4-morpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-[[(2R)-7-chloro-5-(5-pyrimidyl)coumaran-2-yl]methyl]-2-morpholin-4-ium-4-yl-propionamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=CN=CN=C3)Cl)[NH+]4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)NC[C@H]1CC2=C(O1)C(=CC(=C2)C3=CN=CN=C3)Cl)[NH+]4CCOCC4

InChI

InChI=1S/C20H23ClN4O3/c1-13(25-2-4-27-5-3-25)20(26)24-11-17-7-15-6-14(8-18(21)19(15)28-17)16-9-22-12-23-10-16/h6,8-10,12-13,17H,2-5,7,11H2,1H3,(H,24,26)/p+1/t13-,17+/m0/s1