(2-methoxy-3-octadecoxy-propyl) 2-pyridin-1-ium-1-ylethyl carbonate bromide

Systemtic Name: (2-methoxy-3-octadecoxy-propyl) 2-pyridin-1-ium-1-ylethyl carbonate bromide Openeye Name: (2-methoxy-3-octadecoxy-propyl) 2-pyridin-1-ium-1-ylethyl carbonate bromide CAS Name: carbonic acid (2-methoxy-3-octadecoxypropyl) 2-(1-pyridin-1-iumyl)ethyl ester bromide IUPAC Name: (2-methoxy-3-octadecoxypropyl) 2-pyridin-1-ium-1-ylethyl carbonate bromide Traditional Name: carbonic acid (2-methoxy-3-stearyloxy-propyl) 2-pyridin-1-ium-1-ylethyl ester bromide Formula: C30H54BrNO5 MolecularWeight: 588.65746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)OCC[N+]1=CC=CC=C1)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)OCC[N+]1=CC=CC=C1)OC.[Br-]

InChI

InChI=1S/C30H54NO5.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-34-27-29(33-2)28-36-30(32)35-26-24-31-22-19-18-20-23-31;/h18-20,22-23,29H,3-17,21,24-28H2,1-2H3;1H/q+1;/p-1