(2S)-1,2,4,7-tetrahydrobenzimidazol-1-ium-3-ide-2-carboxylate

Systemtic Name: (2S)-1,2,4,7-tetrahydrobenzimidazol-1-ium-3-ide-2-carboxylate Openeye Name: (2S)-1,2,4,7-tetrahydrobenzimidazol-1-ium-3-ide-2-carboxylate CAS Name: (2S)-1,2,4,7-tetrahydrobenzimidazol-1-ium-3-ide-2-carboxylate IUPAC Name: (2S)-1,2,4,7-tetrahydrobenzimidazol-1-ium-3-ide-2-carboxylate Traditional Name: (2S)-1,2,4,7-tetrahydrobenzimidazol-1-ium-3-ide-2-carboxylate Formula: C8H9N2O2- MolecularWeight: 165.16926

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2=C1[NH2+]C([N-]2)C(=O)[O-]

Isomeric SMILES

C1C=CCC2=C1[NH2+][C@H]([N-]2)C(=O)[O-]

InChI

InChI=1S/C8H9N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-2,7,9H,3-4H2,(H,11,12)/q-1/t7-/m1/s1