3-[2-(azaniumylmethyl)-5,6-dimethyl-benzimidazol-1-yl]propanoate

Systemtic Name: 3-[2-(azaniumylmethyl)-5,6-dimethyl-benzimidazol-1-yl]propanoate Openeye Name: 3-[2-(azaniumylmethyl)-5,6-dimethyl-benzimidazol-1-yl]propanoate CAS Name: 3-[2-(ammoniomethyl)-5,6-dimethyl-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-(azaniumylmethyl)-5,6-dimethylbenzimidazol-1-yl]propanoate Traditional Name: 3-[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+])CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c1-8-5-10-11(6-9(8)2)16(4-3-13(17)18)12(7-14)15-10/h5-6H,3-4,7,14H2,1-2H3,(H,17,18)