(1-methyl-3-oxidanylidene-imidazolidin-3-ium-4-yl) octanoate

Systemtic Name: (1-methyl-3-oxidanylidene-imidazolidin-3-ium-4-yl) octanoate Openeye Name: (1-methyl-3-oxo-imidazolidin-3-ium-4-yl) octanoate CAS Name: octanoic acid (1-methyl-3-oxo-4-imidazolidin-3-iumyl) ester IUPAC Name: (1-methyl-3-oxoimidazolidin-3-ium-4-yl) octanoate Traditional Name: caprylic acid (3-keto-1-methyl-imidazolidin-3-ium-4-yl) ester Formula: C12H23N2O3+ MolecularWeight: 243.32262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1CN(C[N+]1=O)C

Isomeric SMILES

CCCCCCCC(=O)OC1CN(C[N+]1=O)C

InChI

InChI=1S/C12H23N2O3/c1-3-4-5-6-7-8-12(15)17-11-9-13(2)10-14(11)16/h11H,3-10H2,1-2H3/q+1