2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]ethyl 2-isothiocyanatoethanoate

Systemtic Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]ethyl 2-isothiocyanatoethanoate Openeye Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]ethyl 2-isothiocyanatoacetate CAS Name: 2-isothiocyanatoacetic acid 2-[2-(3-methyl-1-imidazol-3-iumyl)ethoxy]ethyl ester IUPAC Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]ethyl 2-isothiocyanatoacetate Traditional Name: 2-isothiocyanatoacetic acid 2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]ethyl ester Formula: C11H16N3O3S+ MolecularWeight: 270.32804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCOCCOC(=O)CN=C=S

Isomeric SMILES

C[N+]1=CN(C=C1)CCOCCOC(=O)CN=C=S

InChI

InChI=1S/C11H16N3O3S/c1-13-2-3-14(10-13)4-5-16-6-7-17-11(15)8-12-9-18/h2-3,10H,4-8H2,1H3/q+1