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

Systemtic Name: (4S,6S)-4-pyridin-4-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Openeye Name: (4S,6S)-4-(4-pyridyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate CAS Name: (4S,6S)-4-pyridin-4-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate IUPAC Name: (4S,6S)-4-pyridin-4-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Traditional Name: (4S,6S)-4-(4-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=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2/c17-12(18)9-5-8-11(15-6-14-8)10(16-9)7-1-3-13-4-2-7/h1-4,6,9-10,16H,5H2,(H,14,15)(H,17,18)/t9-,10-/m0/s1