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

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

CC1CCC[NH+](C1)CC2=C(N=C3N2C=C(C=C3)C)C(=O)[O-]

Isomeric SMILES

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

InChI

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