4-[(3-methylimidazol-3-ium-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzoic acid Openeye Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzoic acid CAS Name: 4-[(3-methyl-1-imidazol-3-iumyl)methyl]benzoic acid IUPAC Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzoic acid Traditional Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzoic acid Formula: C12H13N2O2+ MolecularWeight: 217.24382

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H12N2O2/c1-13-6-7-14(9-13)8-10-2-4-11(5-3-10)12(15)16/h2-7,9H,8H2,1H3/p+1