3-[2-[2-(methylazaniumyl)ethyl]benzimidazol-1-yl]propanoate

Systemtic Name: 3-[2-[2-(methylazaniumyl)ethyl]benzimidazol-1-yl]propanoate Openeye Name: 3-[2-[2-(methylammonio)ethyl]benzimidazol-1-yl]propanoate CAS Name: 3-[2-[2-(methylammonio)ethyl]-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-[2-(methylazaniumyl)ethyl]benzimidazol-1-yl]propanoate Traditional Name: 3-[2-[2-(methylammonio)ethyl]benzimidazol-1-yl]propionate Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC1=NC2=CC=CC=C2N1CCC(=O)[O-]

Isomeric SMILES

C[NH2+]CCC1=NC2=CC=CC=C2N1CCC(=O)[O-]

InChI

InChI=1S/C13H17N3O2/c1-14-8-6-12-15-10-4-2-3-5-11(10)16(12)9-7-13(17)18/h2-5,14H,6-9H2,1H3,(H,17,18)