(2R)-2-[2-(azaniumylmethyl)-5,6-dimethyl-benzimidazol-1-yl]propanoate

Systemtic Name: (2R)-2-[2-(azaniumylmethyl)-5,6-dimethyl-benzimidazol-1-yl]propanoate Openeye Name: (2R)-2-[2-(azaniumylmethyl)-5,6-dimethyl-benzimidazol-1-yl]propanoate CAS Name: (2R)-2-[2-(ammoniomethyl)-5,6-dimethyl-1-benzimidazolyl]propanoate IUPAC Name: (2R)-2-[2-(azaniumylmethyl)-5,6-dimethylbenzimidazol-1-yl]propanoate Traditional Name: (2R)-2-[2-(ammoniomethyl)-5,6-dimethyl-benzimidazol-1-yl]propionate Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)C[NH3+])C(C)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)C[NH3+])[C@H](C)C(=O)[O-]

InChI

InChI=1S/C13H17N3O2/c1-7-4-10-11(5-8(7)2)16(9(3)13(17)18)12(6-14)15-10/h4-5,9H,6,14H2,1-3H3,(H,17,18)/t9-/m1/s1