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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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