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dimethyl-[2-(octadecanoylamino)propyl]azanium; ethyl sulfate

dimethyl-[2-(octadecanoylamino)propyl]azanium; ethyl sulfate

Systemtic Name:dimethyl-[2-(octadecanoylamino)propyl]azanium; ethyl sulfate
Openeye Name:dimethyl-[2-(octadecanoylamino)propyl]ammonium; ethyl sulfate
CAS Name:dimethyl-[2-(1-oxooctadecylamino)propyl]ammonium; ethyl sulfate
IUPAC Name:dimethyl-[2-(octadecanoylamino)propyl]azanium; ethyl sulfate
Traditional Name:dimethyl(2-stearamidopropyl)ammonium; ethyl sulfate
Formula: C25H54N2O5S
MolecularWeight: 494.77166
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(C)C[NH+](C)C.CCOS(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(C)C[NH+](C)C.CCOS(=O)(=O)[O-]


InChI

InChI=1S/C23H48N2O.C2H6O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25(3)4;1-2-6-7(3,4)5/h22H,5-21H2,1-4H3,(H,24,26);2H2,1H3,(H,3,4,5)


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