methyl hydrogen sulfate; (E)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]octadec-9-enamide

Systemtic Name: methyl hydrogen sulfate; (E)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]octadec-9-enamide Openeye Name: methyl hydrogen sulfate; (E)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]octadec-9-enamide CAS Name: (E)-N-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]-9-octadecenamide; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; (E)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]octadec-9-enamide Traditional Name: (E)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]octadec-9-enamide; sulfuric acid methyl ester Formula: C27H55N2O5S+ MolecularWeight: 519.801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC[N+]1(CCCCC1)C.COS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCC[N+]1(CCCCC1)C.COS(=O)(=O)O

InChI

InChI=1S/C26H50N2O.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26(29)27-22-25-28(2)23-19-17-20-24-28;1-5-6(2,3)4/h10-11H,3-9,12-25H2,1-2H3;1H3,(H,2,3,4)/p+1/b11-10+;