2-[5-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate

Systemtic Name: 2-[5-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate Openeye Name: 2-[5-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate CAS Name: 2-[5-methyl-3-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate IUPAC Name: 2-[5-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Traditional Name: 2-[5-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(NC3=CC=CC(=[N+]32)C)CC(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(NC3=CC=CC(=[N+]32)C)CC(=O)[O-]

InChI

InChI=1S/C17H23N3O2/c1-12-6-3-4-9-19(12)11-15-14(10-17(21)22)18-16-8-5-7-13(2)20(15)16/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H,21,22)/p+1/t12-/m0/s1