3-[3-(phenylmethyl)imidazol-3-ium-1-yl]propan-1-olate

Systemtic Name: 3-[3-(phenylmethyl)imidazol-3-ium-1-yl]propan-1-olate Openeye Name: 3-(3-benzylimidazol-3-ium-1-yl)propan-1-olate CAS Name: 3-[3-(phenylmethyl)-1-imidazol-3-iumyl]-1-propanolate IUPAC Name: 3-(3-benzylimidazol-3-ium-1-yl)propan-1-olate Traditional Name: 3-(3-benzylimidazol-3-ium-1-yl)propan-1-olate Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CN(C=C2)CCC[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN(C=C2)CCC[O-]

InChI

InChI=1S/C13H16N2O/c16-10-4-7-14-8-9-15(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,4,7,10-11H2