tert-butyl N-[(2S)-1-[6-(3-methylimidazol-3-ium-1-yl)hexylamino]-1-oxidanylidene-propan-2-yl]carbamate iodide

Systemtic Name: tert-butyl N-[(2S)-1-[6-(3-methylimidazol-3-ium-1-yl)hexylamino]-1-oxidanylidene-propan-2-yl]carbamate iodide Openeye Name: tert-butyl N-[(1S)-1-methyl-2-[6-(3-methylimidazol-3-ium-1-yl)hexylamino]-2-oxo-ethyl]carbamate iodide CAS Name: N-[(2S)-1-[6-(3-methyl-1-imidazol-3-iumyl)hexylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester iodide IUPAC Name: tert-butyl N-[(2S)-1-[6-(3-methylimidazol-3-ium-1-yl)hexylamino]-1-oxopropan-2-yl]carbamate iodide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[6-(3-methylimidazol-3-ium-1-yl)hexylamino]ethyl]carbamic acid tert-butyl ester iodide Formula: C18H33IN4O3 MolecularWeight: 480.38409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCCCCN1C=C[N+](=C1)C)NC(=O)OC(C)(C)C.[I-]

Isomeric SMILES

C[C@@H](C(=O)NCCCCCCN1C=C[N+](=C1)C)NC(=O)OC(C)(C)C.[I-]

InChI

InChI=1S/C18H32N4O3.HI/c1-15(20-17(24)25-18(2,3)4)16(23)19-10-8-6-7-9-11-22-13-12-21(5)14-22;/h12-15H,6-11H2,1-5H3,(H-,19,20,23,24);1H/t15-;/m0./s1