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

Systemtic Name: 2-[2-(2-azaniumylethyl)-5,6-dimethoxy-benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-(2-azaniumylethyl)-5,6-dimethoxy-benzimidazol-1-yl]acetate CAS Name: 2-[2-(2-ammonioethyl)-5,6-dimethoxy-1-benzimidazolyl]acetate IUPAC Name: 2-[2-(2-azaniumylethyl)-5,6-dimethoxybenzimidazol-1-yl]acetate Traditional Name: 2-[2-(2-ammonioethyl)-5,6-dimethoxy-benzimidazol-1-yl]acetate Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CC(=O)[O-])CC[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CC(=O)[O-])CC[NH3+])OC

InChI

InChI=1S/C13H17N3O4/c1-19-10-5-8-9(6-11(10)20-2)16(7-13(17)18)12(15-8)3-4-14/h5-6H,3-4,7,14H2,1-2H3,(H,17,18)