ethyl 7-(3-methylimidazol-3-ium-1-yl)heptanoate

Systemtic Name: ethyl 7-(3-methylimidazol-3-ium-1-yl)heptanoate Openeye Name: ethyl 7-(3-methylimidazol-3-ium-1-yl)heptanoate CAS Name: 7-(3-methyl-1-imidazol-3-iumyl)heptanoic acid ethyl ester IUPAC Name: ethyl 7-(3-methylimidazol-3-ium-1-yl)heptanoate Traditional Name: 7-(3-methylimidazol-3-ium-1-yl)enanthic acid ethyl ester Formula: C13H23N2O2+ MolecularWeight: 239.33392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN1C=C[N+](=C1)C

Isomeric SMILES

CCOC(=O)CCCCCCN1C=C[N+](=C1)C

InChI

InChI=1S/C13H23N2O2/c1-3-17-13(16)8-6-4-5-7-9-15-11-10-14(2)12-15/h10-12H,3-9H2,1-2H3/q+1