azanium; ethyl-[1-(16-methylheptadecanoylamino)propyl]azanium; ethyl sulfate

Systemtic Name: azanium; ethyl-[1-(16-methylheptadecanoylamino)propyl]azanium; ethyl sulfate Openeye Name: ammonium; ethyl-[1-(16-methylheptadecanoylamino)propyl]ammonium; ethyl sulfate CAS Name: ammonium; ethyl-[1-[(16-methyl-1-oxoheptadecyl)amino]propyl]ammonium; ethyl sulfate IUPAC Name: azanium; ethyl-[1-(16-methylheptadecanoylamino)propyl]azanium; ethyl sulfate Traditional Name: ammonium; ethyl-[1-(16-methylheptadecanoylamino)propyl]ammonium; ethyl sulfate Formula: C27H63N3O9S2 MolecularWeight: 637.93382

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Descriptors Computed from Structure

Canonical SMILES:

CCC([NH2+]CC)NC(=O)CCCCCCCCCCCCCCC(C)C.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CCC([NH2+]CC)NC(=O)CCCCCCCCCCCCCCC(C)C.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C23H48N2O.2C2H6O4S.H3N/c1-5-22(24-6-2)25-23(26)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(3)4;2*1-2-6-7(3,4)5;/h21-22,24H,5-20H2,1-4H3,(H,25,26);2*2H2,1H3,(H,3,4,5);1H3