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

Systemtic Name: ethyl 3-(1H-benzimidazol-3-ium-2-yl)propanoate Openeye Name: ethyl 3-(1H-benzimidazol-3-ium-2-yl)propanoate CAS Name: 3-(1H-benzimidazol-3-ium-2-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1H-benzimidazol-3-ium-2-yl)propanoate Traditional Name: 3-(1H-benzimidazol-3-ium-2-yl)propionic acid ethyl ester Formula: C12H15N2O2+ MolecularWeight: 219.2597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=[NH+]C2=CC=CC=C2N1

Isomeric SMILES

CCOC(=O)CCC1=[NH+]C2=CC=CC=C2N1

InChI

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