3-[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]propanoate

Systemtic Name: 3-[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]propanoate Openeye Name: 3-[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]propanoate CAS Name: 3-[2-[(1S)-1-ammoniopentyl]-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]propanoate Traditional Name: 3-[2-[(1S)-1-ammoniopentyl]benzimidazol-1-yl]propionate Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NC2=CC=CC=C2N1CCC(=O)[O-])[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-2-3-6-11(16)15-17-12-7-4-5-8-13(12)18(15)10-9-14(19)20/h4-5,7-8,11H,2-3,6,9-10,16H2,1H3,(H,19,20)/t11-/m0/s1