(2R)-2-[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]propanoate

Systemtic Name: (2R)-2-[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]propanoate Openeye Name: (2R)-2-[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]propanoate CAS Name: (2R)-2-[2-[(1S)-1-ammoniopentyl]-1-benzimidazolyl]propanoate IUPAC Name: (2R)-2-[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]propanoate Traditional Name: (2R)-2-[2-[(1S)-1-ammoniopentyl]benzimidazol-1-yl]propionate Formula: C15H21N3O2 MolecularWeight: 275.34614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NC2=CC=CC=C2N1C(C)C(=O)[O-])[NH3+]

Isomeric SMILES

CCCC[C@@H](C1=NC2=CC=CC=C2N1[C@H](C)C(=O)[O-])[NH3+]

InChI

InChI=1S/C15H21N3O2/c1-3-4-7-11(16)14-17-12-8-5-6-9-13(12)18(14)10(2)15(19)20/h5-6,8-11H,3-4,7,16H2,1-2H3,(H,19,20)/t10-,11+/m1/s1