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

Systemtic Name: 2-[3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]ethanoate Openeye Name: 2-[3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]acetate CAS Name: 2-[3-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-2-imidazo[1,2-a]pyridinyl]acetate IUPAC Name: 2-[3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]acetate Traditional Name: 2-[3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]acetate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-12-6-2-4-8-18(12)11-14-13(10-16(20)21)17-15-7-3-5-9-19(14)15/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,20,21)/t12-/m0/s1