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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C2=CC=CC=C2N=C1CCC[NH3+]

Isomeric SMILES

C[C@H](C(=O)[O-])N1C2=CC=CC=C2N=C1CCC[NH3+]

InChI

InChI=1S/C13H17N3O2/c1-9(13(17)18)16-11-6-3-2-5-10(11)15-12(16)7-4-8-14/h2-3,5-6,9H,4,7-8,14H2,1H3,(H,17,18)/t9-/m1/s1