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

Systemtic Name: tert-butyl N-[(2S)-1-[6-(3-methylimidazol-3-ium-1-yl)hexylamino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-methyl-2-[6-(3-methylimidazol-3-ium-1-yl)hexylamino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[6-(3-methyl-1-imidazol-3-iumyl)hexylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[6-(3-methylimidazol-3-ium-1-yl)hexylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-1-methyl-2-[6-(3-methylimidazol-3-ium-1-yl)hexylamino]ethyl]carbamic acid tert-butyl ester Formula: C18H33N4O3+ MolecularWeight: 353.47962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N4O3/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)/p+1/t15-/m0/s1