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

Systemtic Name: ethyl-dimethyl-[1-(16-methylheptadecanoylamino)propyl]azanium; ethyl sulfate Openeye Name: ethyl-dimethyl-[1-(16-methylheptadecanoylamino)propyl]ammonium; ethyl sulfate CAS Name: ethyl-dimethyl-[1-[(16-methyl-1-oxoheptadecyl)amino]propyl]ammonium; ethyl sulfate IUPAC Name: ethyl-dimethyl-[1-(16-methylheptadecanoylamino)propyl]azanium; ethyl sulfate Traditional Name: ethyl-dimethyl-[1-(16-methylheptadecanoylamino)propyl]ammonium; ethyl sulfate Formula: C27H58N2O5S MolecularWeight: 522.82482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H52N2O.C2H6O4S/c1-7-24(27(5,6)8-2)26-25(28)22-20-18-16-14-12-10-9-11-13-15-17-19-21-23(3)4;1-2-6-7(3,4)5/h23-24H,7-22H2,1-6H3;2H2,1H3,(H,3,4,5)