N-[(2R,3R)-1,3-bis(oxidanyl)octadecan-2-yl]-2-pyridin-1-ium-1-yl-ethanamide bromide

Systemtic Name: N-[(2R,3R)-1,3-bis(oxidanyl)octadecan-2-yl]-2-pyridin-1-ium-1-yl-ethanamide bromide Openeye Name: N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-2-pyridin-1-ium-1-yl-acetamide bromide CAS Name: N-[(2R,3R)-1,3-dihydroxyoctadecan-2-yl]-2-(1-pyridin-1-iumyl)acetamide bromide IUPAC Name: N-[(2R,3R)-1,3-dihydroxyoctadecan-2-yl]-2-pyridin-1-ium-1-ylacetamide bromide Traditional Name: N-[(1R,2R)-2-hydroxy-1-methylol-heptadecyl]-2-pyridin-1-ium-1-yl-acetamide bromide Formula: C25H45BrN2O3 MolecularWeight: 501.5404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(CO)NC(=O)C[N+]1=CC=CC=C1)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCC[C@H]([C@@H](CO)NC(=O)C[N+]1=CC=CC=C1)O.[Br-]

InChI

InChI=1S/C25H44N2O3.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-24(29)23(22-28)26-25(30)21-27-19-16-14-17-20-27;/h14,16-17,19-20,23-24,28-29H,2-13,15,18,21-22H2,1H3;1H/t23-,24-;/m1./s1