3-(2-ethyl-3H-benzimidazol-1-ium-1-yl)propanoate

Systemtic Name: 3-(2-ethyl-3H-benzimidazol-1-ium-1-yl)propanoate Openeye Name: 3-(2-ethyl-3H-benzimidazol-1-ium-1-yl)propanoate CAS Name: 3-(2-ethyl-3H-benzimidazol-1-ium-1-yl)propanoate IUPAC Name: 3-(2-ethyl-3H-benzimidazol-1-ium-1-yl)propanoate Traditional Name: 3-(2-ethyl-3H-benzimidazol-1-ium-1-yl)propionate Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2/c1-2-11-13-9-5-3-4-6-10(9)14(11)8-7-12(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)