(2S,7aS)-2,4,7,7a-tetrahydro-1H-benzimidazole-1,3-diium-2-carboxylate

Systemtic Name: (2S,7aS)-2,4,7,7a-tetrahydro-1H-benzimidazole-1,3-diium-2-carboxylate Openeye Name: (2S,7aS)-2,4,7,7a-tetrahydro-1H-benzimidazole-1,3-diium-2-carboxylate CAS Name: (2S,7aS)-2,4,7,7a-tetrahydro-1H-benzimidazole-1,3-diium-2-carboxylate IUPAC Name: (2S,7aS)-2,4,7,7a-tetrahydro-1H-benzimidazole-1,3-diium-2-carboxylate Traditional Name: (2S,7aS)-2,4,7,7a-tetrahydro-1H-benzimidazole-1,3-diium-2-carboxylate Formula: C8H11N2O2+ MolecularWeight: 167.18514

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2=[NH+]C([NH2+]C21)C(=O)[O-]

Isomeric SMILES

C1C=CCC2=[NH+][C@H]([NH2+][C@H]21)C(=O)[O-]

InChI

InChI=1S/C8H10N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-2,5,7,9H,3-4H2,(H,11,12)/p+1/t5-,7-/m0/s1