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

Systemtic Name: 3-[2-[(1S)-1-azaniumylbutyl]-5,6-dimethoxy-benzimidazol-1-yl]propanoate Openeye Name: 3-[2-[(1S)-1-azaniumylbutyl]-5,6-dimethoxy-benzimidazol-1-yl]propanoate CAS Name: 3-[2-[(1S)-1-ammoniobutyl]-5,6-dimethoxy-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-[(1S)-1-azaniumylbutyl]-5,6-dimethoxybenzimidazol-1-yl]propanoate Traditional Name: 3-[2-[(1S)-1-ammoniobutyl]-5,6-dimethoxy-benzimidazol-1-yl]propionate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-4-5-10(17)16-18-11-8-13(22-2)14(23-3)9-12(11)19(16)7-6-15(20)21/h8-10H,4-7,17H2,1-3H3,(H,20,21)/t10-/m0/s1