2-ethyl-3-methyl-1H-imidazol-3-ium benzoate

Systemtic Name: 2-ethyl-3-methyl-1H-imidazol-3-ium benzoate Openeye Name: 2-ethyl-3-methyl-1H-imidazol-3-ium benzoate CAS Name: 2-ethyl-3-methyl-1H-imidazol-3-ium benzoate IUPAC Name: 2-ethyl-3-methyl-1H-imidazol-3-ium benzoate Traditional Name: 2-ethyl-3-methyl-1H-imidazol-3-ium benzoate Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C=CN1)C.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCC1=[N+](C=CN1)C.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C7H6O2.C6H10N2/c8-7(9)6-4-2-1-3-5-6;1-3-6-7-4-5-8(6)2/h1-5H,(H,8,9);4-5H,3H2,1-2H3