(3S)-1-[2-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-imidazo[1,2-a]pyridin-4-ium-6-yl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[2-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-imidazo[1,2-a]pyridin-4-ium-6-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[2-(2-oxido-2-oxo-ethyl)-1H-imidazo[1,2-a]pyridin-4-ium-6-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(2-oxido-2-oxoethyl)-1H-imidazo[1,2-a]pyridin-4-ium-6-yl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[2-(2-oxido-2-oxoethyl)-1H-imidazo[1,2-a]pyridin-4-ium-6-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(2-keto-2-oxido-ethyl)-1H-imidazo[1,2-a]pyridin-4-ium-6-yl]nipecotate Formula: C15H16N3O4- MolecularWeight: 302.30524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C[N+]3=C(C=C2)NC(=C3)CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C[N+]3=C(C=C2)NC(=C3)CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H17N3O4/c19-14(20)6-11-8-18-9-12(3-4-13(18)16-11)17-5-1-2-10(7-17)15(21)22/h3-4,8-10H,1-2,5-7H2,(H2,19,20,21,22)/p-1/t10-/m0/s1