3-[4-(3-ethylimidazol-1-ium-1-yl)butyl]-5-(hexadecoxymethyl)-1,3-oxazolidin-2-one iodide

Systemtic Name: 3-[4-(3-ethylimidazol-1-ium-1-yl)butyl]-5-(hexadecoxymethyl)-1,3-oxazolidin-2-one iodide Openeye Name: 3-[4-(3-ethylimidazol-1-ium-1-yl)butyl]-5-(hexadecoxymethyl)oxazolidin-2-one iodide CAS Name: 3-[4-(3-ethyl-1-imidazol-1-iumyl)butyl]-5-(hexadecoxymethyl)-2-oxazolidinone iodide IUPAC Name: 3-[4-(3-ethylimidazol-1-ium-1-yl)butyl]-5-(hexadecoxymethyl)-1,3-oxazolidin-2-one iodide Traditional Name: 5-(cetyloxymethyl)-3-[4-(3-ethylimidazol-1-ium-1-yl)butyl]oxazolidin-2-one iodide Formula: C29H54IN3O3 MolecularWeight: 619.66183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CN(C(=O)O1)CCCC[N+]2=CN(C=C2)CC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CN(C(=O)O1)CCCC[N+]2=CN(C=C2)CC.[I-]

InChI

InChI=1S/C29H54N3O3.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-24-34-26-28-25-32(29(33)35-28)21-18-17-20-31-23-22-30(4-2)27-31;/h22-23,27-28H,3-21,24-26H2,1-2H3;1H/q+1;/p-1