N-[(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-12-pyridin-1-ium-1-yl-dodecanamide bromide

Systemtic Name: N-[(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-12-pyridin-1-ium-1-yl-dodecanamide bromide Openeye Name: N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]-12-pyridin-1-ium-1-yl-dodecanamide bromide CAS Name: N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-12-(1-pyridin-1-iumyl)dodecanamide bromide IUPAC Name: N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-12-pyridin-1-ium-1-yldodecanamide bromide Traditional Name: N-[(1S,2S)-2-hydroxy-1-methylol-2-phenyl-ethyl]-12-pyridin-1-ium-1-yl-lauramide bromide Formula: C26H39BrN2O3 MolecularWeight: 507.50346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O3.BrH/c29-22-24(26(31)23-16-10-8-11-17-23)27-25(30)18-12-6-4-2-1-3-5-7-13-19-28-20-14-9-15-21-28;/h8-11,14-17,20-21,24,26,29,31H,1-7,12-13,18-19,22H2;1H/t24-,26-;/m0./s1