(4R,6R)-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate

Systemtic Name: (4R,6R)-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Openeye Name: (4R,6R)-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate CAS Name: (4R,6R)-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate IUPAC Name: (4R,6R)-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Traditional Name: (4R,6R)-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(C2=C1NC=N2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH2+][C@@H](C2=C1NC=N2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C13H13N3O2/c17-13(18)10-6-9-12(15-7-14-9)11(16-10)8-4-2-1-3-5-8/h1-5,7,10-11,16H,6H2,(H,14,15)(H,17,18)/t10-,11-/m1/s1