[3-(octadecylcarbamoyloxymethyl)oxetan-3-yl]methyl 6-pyridin-1-ium-1-ylhexanoate

Systemtic Name: [3-(octadecylcarbamoyloxymethyl)oxetan-3-yl]methyl 6-pyridin-1-ium-1-ylhexanoate Openeye Name: [3-(octadecylcarbamoyloxymethyl)oxetan-3-yl]methyl 6-pyridin-1-ium-1-ylhexanoate CAS Name: 6-(1-pyridin-1-iumyl)hexanoic acid [3-[[(octadecylamino)-oxomethoxy]methyl]-3-oxetanyl]methyl ester IUPAC Name: [3-(octadecylcarbamoyloxymethyl)oxetan-3-yl]methyl 6-pyridin-1-ium-1-ylhexanoate Traditional Name: 6-pyridin-1-ium-1-ylhexanoic acid [3-(stearylcarbamoyloxymethyl)oxetan-3-yl]methyl ester Formula: C35H61N2O5+ MolecularWeight: 589.86924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC1)COC(=O)CCCCC[N+]2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC1)COC(=O)CCCCC[N+]2=CC=CC=C2

InChI

InChI=1S/C35H60N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-36-34(39)42-32-35(29-40-30-35)31-41-33(38)24-19-17-21-26-37-27-22-18-23-28-37/h18,22-23,27-28H,2-17,19-21,24-26,29-32H2,1H3/p+1