ethyl 2-[1-[(2-chloranylquinolin-3-yl)methyl]-3-methyl-pyridin-1-ium-4-yl]-2-oxidanyl-butanoate bromide

Systemtic Name: ethyl 2-[1-[(2-chloranylquinolin-3-yl)methyl]-3-methyl-pyridin-1-ium-4-yl]-2-oxidanyl-butanoate bromide Openeye Name: ethyl 2-[1-[(2-chloro-3-quinolyl)methyl]-3-methyl-pyridin-1-ium-4-yl]-2-hydroxy-butanoate bromide CAS Name: 2-[1-[(2-chloro-3-quinolinyl)methyl]-3-methyl-4-pyridin-1-iumyl]-2-hydroxybutanoic acid ethyl ester bromide IUPAC Name: ethyl 2-[1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyridin-1-ium-4-yl]-2-hydroxybutanoate bromide Traditional Name: 2-[1-[(2-chloro-3-quinolyl)methyl]-3-methyl-pyridin-1-ium-4-yl]-2-hydroxy-butyric acid ethyl ester bromide Formula: C22H24BrClN2O3 MolecularWeight: 479.79456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=[N+](C=C1)CC2=CC3=CC=CC=C3N=C2Cl)C)(C(=O)OCC)O.[Br-]

Isomeric SMILES

CCC(C1=C(C=[N+](C=C1)CC2=CC3=CC=CC=C3N=C2Cl)C)(C(=O)OCC)O.[Br-]

InChI

InChI=1S/C22H24ClN2O3.BrH/c1-4-22(27,21(26)28-5-2)18-10-11-25(13-15(18)3)14-17-12-16-8-6-7-9-19(16)24-20(17)23;/h6-13,27H,4-5,14H2,1-3H3;1H/q+1;/p-1