ethyl (2S)-2-bromanyl-3-(3-methylpyridin-1-ium-1-yl)propanoate

Systemtic Name: ethyl (2S)-2-bromanyl-3-(3-methylpyridin-1-ium-1-yl)propanoate Openeye Name: ethyl (2S)-2-bromo-3-(3-methylpyridin-1-ium-1-yl)propanoate CAS Name: (2S)-2-bromo-3-(3-methyl-1-pyridin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-bromo-3-(3-methylpyridin-1-ium-1-yl)propanoate Traditional Name: (2S)-2-bromo-3-(3-methylpyridin-1-ium-1-yl)propionic acid ethyl ester Formula: C11H15BrNO2+ MolecularWeight: 273.1463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[N+]1=CC=CC(=C1)C)Br

Isomeric SMILES

CCOC(=O)[C@H](C[N+]1=CC=CC(=C1)C)Br

InChI

InChI=1S/C11H15BrNO2/c1-3-15-11(14)10(12)8-13-6-4-5-9(2)7-13/h4-7,10H,3,8H2,1-2H3/q+1/t10-/m0/s1