N-[(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-2-pyridin-1-ium-1-yl-ethanamide bromide

Systemtic Name: N-[(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-2-pyridin-1-ium-1-yl-ethanamide bromide Openeye Name: N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]-2-pyridin-1-ium-1-yl-acetamide bromide CAS Name: N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-(1-pyridin-1-iumyl)acetamide bromide IUPAC Name: N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-pyridin-1-ium-1-ylacetamide bromide Traditional Name: N-[(1S,2S)-2-hydroxy-1-methylol-2-phenyl-ethyl]-2-pyridin-1-ium-1-yl-acetamide bromide Formula: C16H19BrN2O3 MolecularWeight: 367.23766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CO)NC(=O)C[N+]2=CC=CC=C2)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]([C@H](CO)NC(=O)C[N+]2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C16H18N2O3.BrH/c19-12-14(16(21)13-7-3-1-4-8-13)17-15(20)11-18-9-5-2-6-10-18;/h1-10,14,16,19,21H,11-12H2;1H/t14-,16-;/m0./s1