(2R)-2-[2-(5-azaniumylpentyl)benzimidazol-1-yl]butanoate

Systemtic Name: (2R)-2-[2-(5-azaniumylpentyl)benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-(5-azaniumylpentyl)benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-(5-ammoniopentyl)-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-(5-azaniumylpentyl)benzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-(5-ammoniopentyl)benzimidazol-1-yl]butyrate Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=CC=CC=C2N=C1CCCCC[NH3+]

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C2=CC=CC=C2N=C1CCCCC[NH3+]

InChI

InChI=1S/C16H23N3O2/c1-2-13(16(20)21)19-14-9-6-5-8-12(14)18-15(19)10-4-3-7-11-17/h5-6,8-9,13H,2-4,7,10-11,17H2,1H3,(H,20,21)/t13-/m1/s1