2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]benzoic acid

Systemtic Name: 2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]benzoic acid Openeye Name: 2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]benzoic acid CAS Name: 2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]benzoic acid IUPAC Name: 2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]benzoic acid Traditional Name: 2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]benzoic acid Formula: C13H15N2O2+ MolecularWeight: 231.2704

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CCC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[N+]1=C(NC=C1)CCC2=CC=CC=C2C(=O)O

InChI

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