trimethyl-[5-[2-(octadecylcarbamoyloxymethyl)prop-2-enoxy]-5-oxidanylidene-pentyl]azanium

Systemtic Name: trimethyl-[5-[2-(octadecylcarbamoyloxymethyl)prop-2-enoxy]-5-oxidanylidene-pentyl]azanium Openeye Name: trimethyl-[5-[2-(octadecylcarbamoyloxymethyl)allyloxy]-5-oxo-pentyl]ammonium CAS Name: trimethyl-[5-[2-[[(octadecylamino)-oxomethoxy]methyl]prop-2-enoxy]-5-oxopentyl]ammonium IUPAC Name: trimethyl-[5-[2-(octadecylcarbamoyloxymethyl)prop-2-enoxy]-5-oxopentyl]azanium Traditional Name: [5-keto-5-[2-(stearylcarbamoyloxymethyl)allyloxy]pentyl]-trimethyl-ammonium Formula: C31H61N2O4+ MolecularWeight: 525.82704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C)COC(=O)CCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C)COC(=O)CCCC[N+](C)(C)C

InChI

InChI=1S/C31H60N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-32-31(35)37-28-29(2)27-36-30(34)24-21-23-26-33(3,4)5/h2,6-28H2,1,3-5H3/p+1