2-(3-methylimidazol-3-ium-1-yl)ethyl 4-methanoylbenzoate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-methanoylbenzoate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester Formula: C14H15N2O3+ MolecularWeight: 259.2805

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCOC(=O)C2=CC=C(C=C2)C=O

Isomeric SMILES

C[N+]1=CN(C=C1)CCOC(=O)C2=CC=C(C=C2)C=O

InChI

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