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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c14-8-3-6-12-15-10-4-1-2-5-11(10)16(12)9-7-13(17)18/h1-2,4-5H,3,6-9,14H2,(H,17,18)