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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2N1CCC(=O)[O-])[NH3+]

Isomeric SMILES

CC[C@@H](C1=NC2=CC=CC=C2N1CCC(=O)[O-])[NH3+]

InChI

InChI=1S/C13H17N3O2/c1-2-9(14)13-15-10-5-3-4-6-11(10)16(13)8-7-12(17)18/h3-6,9H,2,7-8,14H2,1H3,(H,17,18)/t9-/m0/s1