2-[1-methyl-2-(phenylmethyl)imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-methyl-2-(phenylmethyl)imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-(2-benzyl-1-methyl-imidazol-1-ium-1-yl)acetic acid CAS Name: 2-[1-methyl-2-(phenylmethyl)-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-(2-benzyl-1-methylimidazol-1-ium-1-yl)acetic acid Traditional Name: 2-(2-benzyl-1-methyl-imidazol-1-ium-1-yl)acetic acid Formula: C13H15N2O2+ MolecularWeight: 231.2704

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CN=C1CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

C[N+]1(C=CN=C1CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C13H14N2O2/c1-15(10-13(16)17)8-7-14-12(15)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/p+1