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

Systemtic Name: 3-[2-(azaniumylmethyl)-5,6-dimethoxy-benzimidazol-1-yl]propanoate Openeye Name: 3-[2-(azaniumylmethyl)-5,6-dimethoxy-benzimidazol-1-yl]propanoate CAS Name: 3-[2-(ammoniomethyl)-5,6-dimethoxy-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-(azaniumylmethyl)-5,6-dimethoxybenzimidazol-1-yl]propanoate Traditional Name: 3-[2-(ammoniomethyl)-5,6-dimethoxy-benzimidazol-1-yl]propionate Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CCC(=O)[O-])C[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CCC(=O)[O-])C[NH3+])OC

InChI

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