2-(1-oxidanyl-3-oxidanylidene-1-propyl-aziridin-1-ium-2-yl)hexadecanoic acid

Systemtic Name: 2-(1-oxidanyl-3-oxidanylidene-1-propyl-aziridin-1-ium-2-yl)hexadecanoic acid Openeye Name: 2-(1-hydroxy-3-oxo-1-propyl-aziridin-1-ium-2-yl)hexadecanoic acid CAS Name: 2-(1-hydroxy-3-oxo-1-propyl-2-aziridin-1-iumyl)hexadecanoic acid IUPAC Name: 2-(1-hydroxy-3-oxo-1-propylaziridin-1-ium-2-yl)hexadecanoic acid Traditional Name: 2-(1-hydroxy-3-keto-1-propyl-ethylenimin-1-ium-2-yl)palmitic acid Formula: C21H40NO4+ MolecularWeight: 370.5466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C1C(=O)[N+]1(CCC)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C1C(=O)[N+]1(CCC)O)C(=O)O

InChI

InChI=1S/C21H39NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(21(24)25)19-20(23)22(19,26)17-4-2/h18-19,26H,3-17H2,1-2H3/p+1