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

Systemtic Name: 3-[2-(azaniumylmethyl)benzimidazol-1-yl]propanoate Openeye Name: 3-[2-(azaniumylmethyl)benzimidazol-1-yl]propanoate CAS Name: 3-[2-(ammoniomethyl)-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-(azaniumylmethyl)benzimidazol-1-yl]propanoate Traditional Name: 3-[2-(ammoniomethyl)benzimidazol-1-yl]propionate Formula: C11H13N3O2 MolecularWeight: 219.23982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O2/c12-7-10-13-8-3-1-2-4-9(8)14(10)6-5-11(15)16/h1-4H,5-7,12H2,(H,15,16)