ethyl 5-(chloromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-carboxylate; hydrogen sulfate

Systemtic Name: ethyl 5-(chloromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-carboxylate; hydrogen sulfate Openeye Name: ethyl 5-(chloromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-carboxylate; hydrogen sulfate CAS Name: 5-(chloromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-carboxylic acid ethyl ester; hydrogen sulfate IUPAC Name: ethyl 5-(chloromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-carboxylate; hydrogen sulfate Traditional Name: 5-(chloromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-carboxylic acid ethyl ester bisulfate Formula: C11H13ClN2O6S MolecularWeight: 336.74872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=CC=CC(=[N+]21)CCl.OS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CNC2=CC=CC(=[N+]21)CCl.OS(=O)(=O)[O-]

InChI

InChI=1S/C11H11ClN2O2.H2O4S/c1-2-16-11(15)9-7-13-10-5-3-4-8(6-12)14(9)10;1-5(2,3)4/h3-5,7H,2,6H2,1H3;(H2,1,2,3,4)