methyl 2-(3-phenacylimidazol-3-ium-1-yl)ethanoate

Systemtic Name: methyl 2-(3-phenacylimidazol-3-ium-1-yl)ethanoate Openeye Name: methyl 2-(3-phenacylimidazol-3-ium-1-yl)acetate CAS Name: 2-(3-phenacyl-1-imidazol-3-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(3-phenacylimidazol-3-ium-1-yl)acetate Traditional Name: 2-(3-phenacylimidazol-3-ium-1-yl)acetic acid methyl ester Formula: C14H15N2O3+ MolecularWeight: 259.2805

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C[N+](=C1)CC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CN1C=C[N+](=C1)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H15N2O3/c1-19-14(18)10-16-8-7-15(11-16)9-13(17)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3/q+1