3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridine-2-carboxylate

Systemtic Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridine-2-carboxylate Openeye Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridine-2-carboxylate CAS Name: 3-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-7-methyl-2-imidazo[1,2-a]pyridinecarboxylate IUPAC Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylate Traditional Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridine-2-carboxylate Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2/c1-11-4-5-20-14(16(17(21)22)18-15(20)7-11)10-19-8-12(2)6-13(3)9-19/h4-5,7,12-13H,6,8-10H2,1-3H3,(H,21,22)/t12-,13-/m0/s1