tert-butyl N-[(3S,4S)-1,1-dihexadecyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-ium-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S,4S)-1,1-dihexadecyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-ium-3-yl]carbamate Openeye Name: tert-butyl N-[(3S,4S)-4-(tert-butoxycarbonylamino)-1,1-dihexadecyl-pyrrolidin-1-ium-3-yl]carbamate CAS Name: N-[(3S,4S)-1,1-dihexadecyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyrrolidin-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S,4S)-1,1-dihexadecyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-ium-3-yl]carbamate Traditional Name: N-[(3S,4S)-4-(tert-butoxycarbonylamino)-1,1-dicetyl-pyrrolidin-1-ium-3-yl]carbamic acid tert-butyl ester Formula: C46H92N3O4+ MolecularWeight: 751.24038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(C[C@@H]([C@H](C1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C46H91N3O4/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-49(38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)39-41(47-43(50)52-45(3,4)5)42(40-49)48-44(51)53-46(6,7)8/h41-42H,9-40H2,1-8H3,(H-,47,48,50,51)/p+1/t41-,42-/m0/s1