(2R)-2-[2-(azaniumylmethyl)-5,6-dimethyl-benzimidazol-1-yl]butanoate

Systemtic Name: (2R)-2-[2-(azaniumylmethyl)-5,6-dimethyl-benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-(azaniumylmethyl)-5,6-dimethyl-benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-(ammoniomethyl)-5,6-dimethyl-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-(azaniumylmethyl)-5,6-dimethylbenzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-(ammoniomethyl)-5,6-dimethyl-benzimidazol-1-yl]butyrate Formula: C14H19N3O2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=C(C=C(C(=C2)C)C)N=C1C[NH3+]

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C2=C(C=C(C(=C2)C)C)N=C1C[NH3+]

InChI

InChI=1S/C14H19N3O2/c1-4-11(14(18)19)17-12-6-9(3)8(2)5-10(12)16-13(17)7-15/h5-6,11H,4,7,15H2,1-3H3,(H,18,19)/t11-/m1/s1