2-[2-(2-azaniumylethyl)-5,6-dimethyl-benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-(2-azaniumylethyl)-5,6-dimethyl-benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-(2-azaniumylethyl)-5,6-dimethyl-benzimidazol-1-yl]acetate CAS Name: 2-[2-(2-ammonioethyl)-5,6-dimethyl-1-benzimidazolyl]acetate IUPAC Name: 2-[2-(2-azaniumylethyl)-5,6-dimethylbenzimidazol-1-yl]acetate Traditional Name: 2-[2-(2-ammonioethyl)-5,6-dimethyl-benzimidazol-1-yl]acetate Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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