3-(hydroxymethyl)-N-octadecyl-5-oxidanylidene-2H-1,2,5-oxadiazol-5-ium-4-carboxamide

Systemtic Name: 3-(hydroxymethyl)-N-octadecyl-5-oxidanylidene-2H-1,2,5-oxadiazol-5-ium-4-carboxamide Openeye Name: 3-(hydroxymethyl)-N-octadecyl-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carboxamide CAS Name: 3-(hydroxymethyl)-N-octadecyl-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carboxamide IUPAC Name: 3-(hydroxymethyl)-N-octadecyl-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carboxamide Traditional Name: 5-keto-3-methylol-N-stearyl-2H-furazan-5-ium-4-carboxamide Formula: C22H42N3O4+ MolecularWeight: 412.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(NO[N+]1=O)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(NO[N+]1=O)CO

InChI

InChI=1S/C22H41N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-22(27)21-20(19-26)24-29-25(21)28/h26H,2-19H2,1H3,(H-,23,24,27,28)/p+1