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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1C(=O)N1CCC[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1C(=O)N1CCC[N+](C)(C)CC(=O)[O-]

InChI

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