2-[3-(2-dodecyl-3-oxidanylidene-aziridin-1-yl)propyl-ethyl-azaniumyl]ethanoate

Systemtic Name: 2-[3-(2-dodecyl-3-oxidanylidene-aziridin-1-yl)propyl-ethyl-azaniumyl]ethanoate Openeye Name: 2-[3-(2-dodecyl-3-oxo-aziridin-1-yl)propyl-ethyl-ammonio]acetate CAS Name: 2-[3-(2-dodecyl-3-oxo-1-aziridinyl)propyl-ethylammonio]acetate IUPAC Name: 2-[3-(2-dodecyl-3-oxoaziridin-1-yl)propyl-ethylazaniumyl]acetate Traditional Name: 2-[ethyl-[3-(2-keto-3-lauryl-ethylenimin-1-yl)propyl]ammonio]acetate Formula: C21H40N2O3 MolecularWeight: 368.5539

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1C(=O)N1CCC[NH+](CC)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1C(=O)N1CCC[NH+](CC)CC(=O)[O-]

InChI

InChI=1S/C21H40N2O3/c1-3-5-6-7-8-9-10-11-12-13-15-19-21(26)23(19)17-14-16-22(4-2)18-20(24)25/h19H,3-18H2,1-2H3,(H,24,25)