(E,2S,3R)-2-(12-pyridin-1-ium-1-yldodecylamino)octadec-4-ene-1,3-diol

Systemtic Name: (E,2S,3R)-2-(12-pyridin-1-ium-1-yldodecylamino)octadec-4-ene-1,3-diol Openeye Name: (E,2S,3R)-2-(12-pyridin-1-ium-1-yldodecylamino)octadec-4-ene-1,3-diol CAS Name: (E,2S,3R)-2-[12-(1-pyridin-1-iumyl)dodecylamino]-4-octadecene-1,3-diol IUPAC Name: (E,2S,3R)-2-(12-pyridin-1-ium-1-yldodecylamino)octadec-4-ene-1,3-diol Traditional Name: (E,2S,3R)-2-(12-pyridin-1-ium-1-yldodecylamino)octadec-4-ene-1,3-diol Formula: C35H65N2O2+ MolecularWeight: 545.9028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H65N2O2/c1-2-3-4-5-6-7-8-9-10-13-16-19-23-28-35(39)34(33-38)36-29-24-20-17-14-11-12-15-18-21-25-30-37-31-26-22-27-32-37/h22-23,26-28,31-32,34-36,38-39H,2-21,24-25,29-30,33H2,1H3/q+1/b28-23+/t34-,35+/m0/s1