(4S,6R)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate

Systemtic Name: (4S,6R)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Openeye Name: (4S,6R)-4-(3-pyridyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate CAS Name: (4S,6R)-4-(3-pyridinyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate IUPAC Name: (4S,6R)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Traditional Name: (4S,6R)-4-(3-pyridyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Formula: C12H12N4O2 MolecularWeight: 244.24928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2/c17-12(18)9-4-8-11(15-6-14-8)10(16-9)7-2-1-3-13-5-7/h1-3,5-6,9-10,16H,4H2,(H,14,15)(H,17,18)/t9-,10+/m1/s1