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

Systemtic Name: 3-[2-[(1S)-1-azaniumylethyl]-5,6-dimethoxy-benzimidazol-1-yl]propanoate Openeye Name: 3-[2-[(1S)-1-azaniumylethyl]-5,6-dimethoxy-benzimidazol-1-yl]propanoate CAS Name: 3-[2-[(1S)-1-ammonioethyl]-5,6-dimethoxy-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-[(1S)-1-azaniumylethyl]-5,6-dimethoxybenzimidazol-1-yl]propanoate Traditional Name: 3-[2-[(1S)-1-ammonioethyl]-5,6-dimethoxy-benzimidazol-1-yl]propionate Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC(=C(C=C2N1CCC(=O)[O-])OC)OC)[NH3+]

Isomeric SMILES

C[C@@H](C1=NC2=CC(=C(C=C2N1CCC(=O)[O-])OC)OC)[NH3+]

InChI

InChI=1S/C14H19N3O4/c1-8(15)14-16-9-6-11(20-2)12(21-3)7-10(9)17(14)5-4-13(18)19/h6-8H,4-5,15H2,1-3H3,(H,18,19)/t8-/m0/s1