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

Systemtic Name: (1-methoxycarbonyloxy-3-octadecoxy-propyl) 2-pyridin-1-ium-1-ylethyl carbonate bromide Openeye Name: (1-methoxycarbonyloxy-3-octadecoxy-propyl) 2-pyridin-1-ium-1-ylethyl carbonate bromide CAS Name: carbonic acid (1-methoxycarbonyloxy-3-octadecoxypropyl) 2-(1-pyridin-1-iumyl)ethyl ester bromide IUPAC Name: (1-methoxycarbonyloxy-3-octadecoxypropyl) 2-pyridin-1-ium-1-ylethyl carbonate bromide Traditional Name: carbonic acid (1-carbomethoxyoxy-3-stearyloxy-propyl) 2-pyridin-1-ium-1-ylethyl ester bromide Formula: C31H54BrNO7 MolecularWeight: 632.66696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H54NO7.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-36-27-22-29(38-30(33)35-2)39-31(34)37-28-25-32-23-19-18-20-24-32;/h18-20,23-24,29H,3-17,21-22,25-28H2,1-2H3;1H/q+1;/p-1