N-[(1S,2R)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-19-pyridin-1-ium-1-yl-nonadecanamide

Systemtic Name: N-[(1S,2R)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-19-pyridin-1-ium-1-yl-nonadecanamide Openeye Name: N-[(1R,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]-19-pyridin-1-ium-1-yl-nonadecanamide CAS Name: N-[(1S,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-19-(1-pyridin-1-iumyl)nonadecanamide IUPAC Name: N-[(1S,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-19-pyridin-1-ium-1-ylnonadecanamide Traditional Name: N-[(1R,2S)-2-hydroxy-1-methylol-2-phenyl-ethyl]-19-pyridin-1-ium-1-yl-nonadecanamide Formula: C33H53N2O3+ MolecularWeight: 525.78552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CO)NC(=O)CCCCCCCCCCCCCCCCCC[N+]2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O3/c36-29-31(33(38)30-23-17-15-18-24-30)34-32(37)25-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-26-35-27-21-16-22-28-35/h15-18,21-24,27-28,31,33,36,38H,1-14,19-20,25-26,29H2/p+1/t31-,33+/m1/s1