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

Systemtic Name: (2-methoxycarbonyloxy-3-octadecoxy-propyl) 1-pyridin-1-ium-1-ylethyl carbonate Openeye Name: (2-methoxycarbonyloxy-3-octadecoxy-propyl) 1-pyridin-1-ium-1-ylethyl carbonate CAS Name: carbonic acid (2-methoxycarbonyloxy-3-octadecoxypropyl) 1-(1-pyridin-1-iumyl)ethyl ester IUPAC Name: (2-methoxycarbonyloxy-3-octadecoxypropyl) 1-pyridin-1-ium-1-ylethyl carbonate Traditional Name: carbonic acid (2-carbomethoxyoxy-3-stearyloxy-propyl) 1-pyridin-1-ium-1-ylethyl ester Formula: C31H54NO7+ MolecularWeight: 552.76296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)OC(C)[N+]1=CC=CC=C1)OC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)OC(C)[N+]1=CC=CC=C1)OC(=O)OC

InChI

InChI=1S/C31H54NO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-36-26-29(39-30(33)35-3)27-37-31(34)38-28(2)32-23-20-19-21-24-32/h19-21,23-24,28-29H,4-18,22,25-27H2,1-3H3/q+1