(2R)-2-[2-(3-azaniumylpropyl)benzimidazol-1-yl]butanoate

Systemtic Name: (2R)-2-[2-(3-azaniumylpropyl)benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-(3-azaniumylpropyl)benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-(3-ammoniopropyl)-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-(3-azaniumylpropyl)benzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-(3-ammoniopropyl)benzimidazol-1-yl]butyrate Formula: C14H19N3O2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=CC=CC=C2N=C1CCC[NH3+]

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C2=CC=CC=C2N=C1CCC[NH3+]

InChI

InChI=1S/C14H19N3O2/c1-2-11(14(18)19)17-12-7-4-3-6-10(12)16-13(17)8-5-9-15/h3-4,6-7,11H,2,5,8-9,15H2,1H3,(H,18,19)/t11-/m1/s1