3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate

Systemtic Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate Openeye Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate CAS Name: 3-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-2-imidazo[1,2-a]pyridinecarboxylate IUPAC Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate Traditional Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=C(N=C3N2C=CC=C3)C(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=C(N=C3N2C=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C16H21N3O2/c1-11-7-12(2)9-18(8-11)10-13-15(16(20)21)17-14-5-3-4-6-19(13)14/h3-6,11-12H,7-10H2,1-2H3,(H,20,21)/t11-,12-/m0/s1