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

Systemtic Name: (2R)-2-[2-(3-azaniumylpropyl)-5,6-dimethoxy-benzimidazol-1-yl]propanoate Openeye Name: (2R)-2-[2-(3-azaniumylpropyl)-5,6-dimethoxy-benzimidazol-1-yl]propanoate CAS Name: (2R)-2-[2-(3-ammoniopropyl)-5,6-dimethoxy-1-benzimidazolyl]propanoate IUPAC Name: (2R)-2-[2-(3-azaniumylpropyl)-5,6-dimethoxybenzimidazol-1-yl]propanoate Traditional Name: (2R)-2-[2-(3-ammoniopropyl)-5,6-dimethoxy-benzimidazol-1-yl]propionate Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C2=CC(=C(C=C2N=C1CCC[NH3+])OC)OC

Isomeric SMILES

C[C@H](C(=O)[O-])N1C2=CC(=C(C=C2N=C1CCC[NH3+])OC)OC

InChI

InChI=1S/C15H21N3O4/c1-9(15(19)20)18-11-8-13(22-3)12(21-2)7-10(11)17-14(18)5-4-6-16/h7-9H,4-6,16H2,1-3H3,(H,19,20)/t9-/m1/s1