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

Systemtic Name: (2R)-2-[2-[(1S)-1-azaniumylbutyl]benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-[(1S)-1-azaniumylbutyl]benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-[(1S)-1-ammoniobutyl]-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-[(1S)-1-azaniumylbutyl]benzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-[(1S)-1-ammoniobutyl]benzimidazol-1-yl]butyrate Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-3-7-10(16)14-17-11-8-5-6-9-13(11)18(14)12(4-2)15(19)20/h5-6,8-10,12H,3-4,7,16H2,1-2H3,(H,19,20)/t10-,12+/m0/s1