ethyl (2R)-1-[(3-bromanyl-6-chloranyl-imidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(3-bromanyl-6-chloranyl-imidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(3-bromo-6-chloro-imidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(3-bromo-6-chloro-2-imidazo[1,2-a]pyridinyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(3-bromo-6-chloro-imidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C16H20BrClN3O2+ MolecularWeight: 401.7059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=C(N3C=C(C=CC3=N2)Cl)Br

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=C(N3C=C(C=CC3=N2)Cl)Br

InChI

InChI=1S/C16H19BrClN3O2/c1-2-23-16(22)13-5-3-4-8-20(13)10-12-15(17)21-9-11(18)6-7-14(21)19-12/h6-7,9,13H,2-5,8,10H2,1H3/p+1/t13-/m1/s1