3-[2-(2-azaniumylethyl)benzimidazol-1-yl]propanoate

Systemtic Name: 3-[2-(2-azaniumylethyl)benzimidazol-1-yl]propanoate Openeye Name: 3-[2-(2-azaniumylethyl)benzimidazol-1-yl]propanoate CAS Name: 3-[2-(2-ammonioethyl)-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-(2-azaniumylethyl)benzimidazol-1-yl]propanoate Traditional Name: 3-[2-(2-ammonioethyl)benzimidazol-1-yl]propionate Formula: C12H15N3O2 MolecularWeight: 233.2664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCC(=O)[O-])CC[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCC(=O)[O-])CC[NH3+]

InChI

InChI=1S/C12H15N3O2/c13-7-5-11-14-9-3-1-2-4-10(9)15(11)8-6-12(16)17/h1-4H,5-8,13H2,(H,16,17)