(E,2S,3S)-2-(16-pyridin-1-ium-1-ylhexadecylamino)octadec-4-ene-1,3-diol

Systemtic Name: (E,2S,3S)-2-(16-pyridin-1-ium-1-ylhexadecylamino)octadec-4-ene-1,3-diol Openeye Name: (E,2S,3S)-2-(16-pyridin-1-ium-1-ylhexadecylamino)octadec-4-ene-1,3-diol CAS Name: (E,2S,3S)-2-[16-(1-pyridin-1-iumyl)hexadecylamino]-4-octadecene-1,3-diol IUPAC Name: (E,2S,3S)-2-(16-pyridin-1-ium-1-ylhexadecylamino)octadec-4-ene-1,3-diol Traditional Name: (E,2S,3S)-2-(16-pyridin-1-ium-1-ylhexadecylamino)octadec-4-ene-1,3-diol Formula: C39H73N2O2+ MolecularWeight: 602.00912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@@H]([C@H](CO)NCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1)O

InChI

InChI=1S/C39H73N2O2/c1-2-3-4-5-6-7-8-11-14-17-20-23-27-32-39(43)38(37-42)40-33-28-24-21-18-15-12-9-10-13-16-19-22-25-29-34-41-35-30-26-31-36-41/h26-27,30-32,35-36,38-40,42-43H,2-25,28-29,33-34,37H2,1H3/q+1/b32-27+/t38-,39-/m0/s1