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

Systemtic Name: tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioctadecyl-pyrrolidin-1-ium-3-yl]carbamate Openeye Name: tert-butyl N-[(3S,4S)-4-(tert-butoxycarbonylamino)-1,1-dioctadecyl-pyrrolidin-1-ium-3-yl]carbamate CAS Name: N-[(3S,4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,1-dioctadecyl-3-pyrrolidin-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioctadecylpyrrolidin-1-ium-3-yl]carbamate Traditional Name: N-[(3S,4S)-4-(tert-butoxycarbonylamino)-1,1-distearyl-pyrrolidin-1-ium-3-yl]carbamic acid tert-butyl ester Formula: C50H100N3O4+ MolecularWeight: 807.3467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H99N3O4/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-53(42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)43-45(51-47(54)56-49(3,4)5)46(44-53)52-48(55)57-50(6,7)8/h45-46H,9-44H2,1-8H3,(H-,51,52,54,55)/p+1/t45-,46-/m0/s1