2-pyridin-1-ium-1-yl-N-[(2S,3S,4R)-1,3,4-tris(oxidanyl)octadecan-2-yl]ethanamide

Systemtic Name: 2-pyridin-1-ium-1-yl-N-[(2S,3S,4R)-1,3,4-tris(oxidanyl)octadecan-2-yl]ethanamide Openeye Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-2-pyridin-1-ium-1-yl-acetamide CAS Name: 2-(1-pyridin-1-iumyl)-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]acetamide IUPAC Name: 2-pyridin-1-ium-1-yl-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]acetamide Traditional Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-methylol-heptadecyl]-2-pyridin-1-ium-1-yl-acetamide Formula: C25H45N2O4+ MolecularWeight: 437.6358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(CO)NC(=O)C[N+]1=CC=CC=C1)O)O

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)C[N+]1=CC=CC=C1)O)O

InChI

InChI=1S/C25H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-23(29)25(31)22(21-28)26-24(30)20-27-18-15-13-16-19-27/h13,15-16,18-19,22-23,25,28-29,31H,2-12,14,17,20-21H2,1H3/p+1/t22-,23+,25-/m0/s1