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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(N3C=C(C=CC3=N2)Cl)Br

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=C(N3C=C(C=CC3=N2)Cl)Br

InChI

InChI=1S/C16H19BrClN3O2/c1-2-23-16(22)11-4-3-7-20(8-11)10-13-15(17)21-9-12(18)5-6-14(21)19-13/h5-6,9,11H,2-4,7-8,10H2,1H3/p+1/t11-/m1/s1