N-[(1S,2R)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-9-pyridin-1-ium-1-yl-nonanamide bromide

Systemtic Name: N-[(1S,2R)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-9-pyridin-1-ium-1-yl-nonanamide bromide Openeye Name: N-[(1R,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]-9-pyridin-1-ium-1-yl-nonanamide bromide CAS Name: N-[(1S,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-9-(1-pyridin-1-iumyl)nonanamide bromide IUPAC Name: N-[(1S,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-9-pyridin-1-ium-1-ylnonanamide bromide Traditional Name: N-[(1R,2S)-2-hydroxy-1-methylol-2-phenyl-ethyl]-9-pyridin-1-ium-1-yl-pelargonamide bromide Formula: C23H33BrN2O3 MolecularWeight: 465.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3.BrH/c26-19-21(23(28)20-13-7-5-8-14-20)24-22(27)15-9-3-1-2-4-10-16-25-17-11-6-12-18-25;/h5-8,11-14,17-18,21,23,26,28H,1-4,9-10,15-16,19H2;1H/t21-,23+;/m1./s1