N-[(1R,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-2-pyridin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(1R,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-2-pyridin-1-ium-1-yl-ethanamide Openeye Name: N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2-pyridin-1-ium-1-yl-acetamide CAS Name: N-[(1R,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(1-pyridin-1-iumyl)acetamide IUPAC Name: N-[(1R,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-pyridin-1-ium-1-ylacetamide Traditional Name: N-[(1S,2R)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-2-pyridin-1-ium-1-yl-acetamide Formula: C16H18N3O5+ MolecularWeight: 332.33122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)N[C@@H](CO)[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H17N3O5/c20-11-14(17-15(21)10-18-8-2-1-3-9-18)16(22)12-4-6-13(7-5-12)19(23)24/h1-9,14,16,20,22H,10-11H2/p+1/t14-,16+/m0/s1