2-[2-[(1S)-1-azaniumylethyl]-5,6-dimethyl-benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[(1S)-1-azaniumylethyl]-5,6-dimethyl-benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[(1S)-1-azaniumylethyl]-5,6-dimethyl-benzimidazol-1-yl]acetate CAS Name: 2-[2-[(1S)-1-ammonioethyl]-5,6-dimethyl-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[(1S)-1-azaniumylethyl]-5,6-dimethylbenzimidazol-1-yl]acetate Traditional Name: 2-[2-[(1S)-1-ammonioethyl]-5,6-dimethyl-benzimidazol-1-yl]acetate Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)C(C)[NH3+])CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)[C@H](C)[NH3+])CC(=O)[O-]

InChI

InChI=1S/C13H17N3O2/c1-7-4-10-11(5-8(7)2)16(6-12(17)18)13(15-10)9(3)14/h4-5,9H,6,14H2,1-3H3,(H,17,18)/t9-/m0/s1