4-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-4-oxidanylidene-butanoate Openeye Name: 4-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-4-oxo-butanoate CAS Name: 4-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-4-oxobutanoate IUPAC Name: 4-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-4-oxobutanoate Traditional Name: 4-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-4-keto-butyrate Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2N1)C(=O)CCC(=O)[O-]

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2N1)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H14N2O3/c1-2-11-14-9-5-3-4-6-10(9)15(11)12(16)7-8-13(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)