(4S,6R)-4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate

Systemtic Name: (4S,6R)-4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Openeye Name: (4S,6R)-4-(2-thienyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate CAS Name: (4S,6R)-4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate IUPAC Name: (4S,6R)-4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Traditional Name: (4S,6R)-4-(2-thienyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(C2=C1NC=N2)C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH2+][C@@H](C2=C1NC=N2)C3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c15-11(16)7-4-6-9(13-5-12-6)10(14-7)8-2-1-3-17-8/h1-3,5,7,10,14H,4H2,(H,12,13)(H,15,16)/t7-,10-/m1/s1