(2R)-2-[2-(azaniumylmethyl)benzimidazol-1-yl]butanoate

Systemtic Name: (2R)-2-[2-(azaniumylmethyl)benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-(azaniumylmethyl)benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-(ammoniomethyl)-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-(azaniumylmethyl)benzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-(ammoniomethyl)benzimidazol-1-yl]butyrate Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=CC=CC=C2N=C1C[NH3+]

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C2=CC=CC=C2N=C1C[NH3+]

InChI

InChI=1S/C12H15N3O2/c1-2-9(12(16)17)15-10-6-4-3-5-8(10)14-11(15)7-13/h3-6,9H,2,7,13H2,1H3,(H,16,17)/t9-/m1/s1