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

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

CC1CCCC[NH+]1CC2=C(N=C3N2C(=CC=C3)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-11-6-3-4-9-18(11)10-13-15(16(20)21)17-14-8-5-7-12(2)19(13)14/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,20,21)/t11-/m0/s1