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

Systemtic Name: (2R)-2-[2-[(1S)-1-azaniumylbutyl]benzimidazol-1-yl]propanoate Openeye Name: (2R)-2-[2-[(1S)-1-azaniumylbutyl]benzimidazol-1-yl]propanoate CAS Name: (2R)-2-[2-[(1S)-1-ammoniobutyl]-1-benzimidazolyl]propanoate IUPAC Name: (2R)-2-[2-[(1S)-1-azaniumylbutyl]benzimidazol-1-yl]propanoate Traditional Name: (2R)-2-[2-[(1S)-1-ammoniobutyl]benzimidazol-1-yl]propionate Formula: C14H19N3O2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2/c1-3-6-10(15)13-16-11-7-4-5-8-12(11)17(13)9(2)14(18)19/h4-5,7-10H,3,6,15H2,1-2H3,(H,18,19)/t9-,10+/m1/s1