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

Systemtic Name: (2R)-2-[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-[(1S)-1-ammoniopentyl]-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-[(1S)-1-azaniumylpentyl]benzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-[(1S)-1-ammoniopentyl]benzimidazol-1-yl]butyrate Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-3-5-8-11(17)15-18-12-9-6-7-10-14(12)19(15)13(4-2)16(20)21/h6-7,9-11,13H,3-5,8,17H2,1-2H3,(H,20,21)/t11-,13+/m0/s1