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

Systemtic Name: 2-[3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]ethanoate Openeye Name: 2-[3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]acetate CAS Name: 2-[3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-imidazo[1,2-a]pyridinyl]acetate IUPAC Name: 2-[3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]acetate Traditional Name: 2-[3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]acetate Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(N=C3N2C=CC=C3)CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2/c1-2-13-7-3-5-9-19(13)12-15-14(11-17(21)22)18-16-8-4-6-10-20(15)16/h4,6,8,10,13H,2-3,5,7,9,11-12H2,1H3,(H,21,22)/t13-/m0/s1