(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-1-ium-5-yl)methyl]oxolan-2-one nitrate

Systemtic Name: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-1-ium-5-yl)methyl]oxolan-2-one nitrate Openeye Name: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-1-ium-5-yl)methyl]tetrahydrofuran-2-one nitrate CAS Name: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-1-ium-5-yl)methyl]-2-oxolanone nitrate IUPAC Name: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-1-ium-5-yl)methyl]oxolan-2-one nitrate Traditional Name: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-1-ium-5-yl)methyl]tetrahydrofuran-2-one nitrate Formula: C11H17N3O5 MolecularWeight: 271.26978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(COC1=O)CC2=CN=C[NH+]2C.[N+](=O)([O-])[O-]

Isomeric SMILES

CC[C@H]1[C@H](COC1=O)CC2=CN=C[NH+]2C.[N+](=O)([O-])[O-]

InChI

InChI=1S/C11H16N2O2.NO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;/q;-1/p+1/t8-,10-;/m0./s1