methyl 5-[(1,3,5-trimethylpyrazol-1-ium-1-yl)methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(1,3,5-trimethylpyrazol-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(1,3,5-trimethylpyrazol-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(1,3,5-trimethyl-1-pyrazol-1-iumyl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1,3,5-trimethylpyrazol-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(1,3,5-trimethylpyrazol-1-ium-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C13H17N2O3+ MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N+]1(C)CC2=CC=C(O2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=N[N+]1(C)CC2=CC=C(O2)C(=O)OC)C

InChI

InChI=1S/C13H17N2O3/c1-9-7-10(2)15(3,14-9)8-11-5-6-12(18-11)13(16)17-4/h5-7H,8H2,1-4H3/q+1