[(3R,4R,5R)-4-acetyloxy-5-heptadecyl-oxolan-3-yl] 6-pyridin-1-ium-1-ylhexanoate

Systemtic Name: [(3R,4R,5R)-4-acetyloxy-5-heptadecyl-oxolan-3-yl] 6-pyridin-1-ium-1-ylhexanoate Openeye Name: [(3R,4R,5R)-4-acetoxy-5-heptadecyl-tetrahydrofuran-3-yl] 6-pyridin-1-ium-1-ylhexanoate CAS Name: 6-(1-pyridin-1-iumyl)hexanoic acid [(3R,4R,5R)-4-acetyloxy-5-heptadecyl-3-oxolanyl] ester IUPAC Name: [(3R,4R,5R)-4-acetyloxy-5-heptadecyloxolan-3-yl] 6-pyridin-1-ium-1-ylhexanoate Traditional Name: 6-pyridin-1-ium-1-ylhexanoic acid [(3R,4R,5R)-4-acetoxy-5-heptadecyl-tetrahydrofuran-3-yl] ester Formula: C34H58NO5+ MolecularWeight: 560.82802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1C(C(CO1)OC(=O)CCCCC[N+]2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC[C@@H]1[C@H]([C@@H](CO1)OC(=O)CCCCC[N+]2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C34H58NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31-34(39-30(2)36)32(29-38-31)40-33(37)25-20-17-21-26-35-27-22-18-23-28-35/h18,22-23,27-28,31-32,34H,3-17,19-21,24-26,29H2,1-2H3/q+1/t31-,32-,34-/m1/s1