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

Systemtic Name: 6-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate Openeye Name: 6-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate CAS Name: 6-methyl-3-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-2-imidazo[1,2-a]pyridinecarboxylate IUPAC Name: 6-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate Traditional Name: 6-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=C(C=C3)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-11-6-7-14-17-15(16(20)21)13(19(14)9-11)10-18-8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,20,21)/t12-/m0/s1