N-[[(2R)-7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[(2R)-7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[(2R)-7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[(2R)-7-(4,6-dimethyl-2-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[(2R)-7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[(2R)-7-(4,6-dimethylpyrimidin-2-yl)coumaran-2-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=C3C(=CC=C2)CC(O3)CNC(=O)C4=C[N+](=CC=C4)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)C2=C3C(=CC=C2)C[C@@H](O3)CNC(=O)C4=C[N+](=CC=C4)[O-])C

InChI

InChI=1S/C21H20N4O3/c1-13-9-14(2)24-20(23-13)18-7-3-5-15-10-17(28-19(15)18)11-22-21(26)16-6-4-8-25(27)12-16/h3-9,12,17H,10-11H2,1-2H3,(H,22,26)/t17-/m1/s1