2-(2-azanylethylamino)ethyl-(2-carboxyethyl)-ethyl-octadecanoyl-azanium; ethyl sulfate

Systemtic Name: 2-(2-azanylethylamino)ethyl-(2-carboxyethyl)-ethyl-octadecanoyl-azanium; ethyl sulfate Openeye Name: 2-(2-aminoethylamino)ethyl-(2-carboxyethyl)-ethyl-octadecanoyl-ammonium; ethyl sulfate CAS Name: 2-(2-aminoethylamino)ethyl-(2-carboxyethyl)-ethyl-(1-oxooctadecyl)ammonium; ethyl sulfate IUPAC Name: 2-(2-aminoethylamino)ethyl-(2-carboxyethyl)-ethyl-octadecanoylazanium; ethyl sulfate Traditional Name: 2-(2-aminoethylamino)ethyl-(2-carboxyethyl)-ethyl-stearoyl-ammonium; ethyl sulfate Formula: C29H61N3O7S MolecularWeight: 595.87554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[N+](CC)(CCC(=O)O)CCNCCN.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[N+](CC)(CCC(=O)O)CCNCCN.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C27H55N3O3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(31)30(4-2,24-20-27(32)33)25-23-29-22-21-28;1-2-6-7(3,4)5/h29H,3-25,28H2,1-2H3;2H2,1H3,(H,3,4,5)