tert-butyl [1,1-dihexadecyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidin-1-ium-3-yl] carbonate

Systemtic Name: tert-butyl [1,1-dihexadecyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidin-1-ium-3-yl] carbonate Openeye Name: (4-tert-butoxycarbonyloxy-1,1-dihexadecyl-pyrrolidin-1-ium-3-yl) tert-butyl carbonate CAS Name: carbonic acid tert-butyl [1,1-dihexadecyl-4-[(2-methylpropan-2-yl)oxy-oxomethoxy]-3-pyrrolidin-1-iumyl] ester IUPAC Name: tert-butyl [1,1-dihexadecyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidin-1-ium-3-yl] carbonate Traditional Name: carbonic acid (4-tert-butoxycarbonyloxy-1,1-dicetyl-pyrrolidin-1-ium-3-yl) tert-butyl ester Formula: C46H90NO6+ MolecularWeight: 753.2099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H90NO6/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-47(38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)39-41(50-43(48)52-45(3,4)5)42(40-47)51-44(49)53-46(6,7)8/h41-42H,9-40H2,1-8H3/q+1