2-(octadecylcarbamoyloxymethyl)prop-2-enyl 6-pyridin-1-ium-1-ylhexanoate bromide

Systemtic Name: 2-(octadecylcarbamoyloxymethyl)prop-2-enyl 6-pyridin-1-ium-1-ylhexanoate bromide Openeye Name: 2-(octadecylcarbamoyloxymethyl)allyl 6-pyridin-1-ium-1-ylhexanoate bromide CAS Name: 6-(1-pyridin-1-iumyl)hexanoic acid 2-[[(octadecylamino)-oxomethoxy]methyl]prop-2-enyl ester bromide IUPAC Name: 2-(octadecylcarbamoyloxymethyl)prop-2-enyl 6-pyridin-1-ium-1-ylhexanoate bromide Traditional Name: 6-pyridin-1-ium-1-ylhexanoic acid 2-(stearylcarbamoyloxymethyl)allyl ester bromide Formula: C34H59BrN2O4 MolecularWeight: 639.74726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C)COC(=O)CCCCC[N+]1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C)COC(=O)CCCCC[N+]1=CC=CC=C1.[Br-]

InChI

InChI=1S/C34H58N2O4.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-35-34(38)40-31-32(2)30-39-33(37)25-20-18-22-27-36-28-23-19-24-29-36;/h19,23-24,28-29H,2-18,20-22,25-27,30-31H2,1H3;1H