N-[[(2S)-5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[(2S)-5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[(2S)-5-(2-acetylphenyl)coumaran-2-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)OC(C3)CNC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)O[C@@H](C3)CNC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C23H20N2O4/c1-15(26)20-6-2-3-7-21(20)16-8-9-22-18(11-16)12-19(29-22)13-24-23(27)17-5-4-10-25(28)14-17/h2-11,14,19H,12-13H2,1H3,(H,24,27)/t19-/m0/s1