2-ethenyl-1-ethyl-pyridin-1-ium; methyl sulfate; bromide

Systemtic Name: 2-ethenyl-1-ethyl-pyridin-1-ium; methyl sulfate; bromide Openeye Name: 1-ethyl-2-vinyl-pyridin-1-ium; methyl sulfate; bromide CAS Name: 2-ethenyl-1-ethylpyridin-1-ium; methyl sulfate; bromide IUPAC Name: 2-ethenyl-1-ethylpyridin-1-ium; methyl sulfate; bromide Traditional Name: 1-ethyl-2-vinyl-pyridin-1-ium; methyl sulfate; bromide Formula: C10H15BrNO4S- MolecularWeight: 325.1994

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1C=C.COS(=O)(=O)[O-].[Br-]

Isomeric SMILES

CC[N+]1=CC=CC=C1C=C.COS(=O)(=O)[O-].[Br-]

InChI

InChI=1S/C9H12N.CH4O4S.BrH/c1-3-9-7-5-6-8-10(9)4-2;1-5-6(2,3)4;/h3,5-8H,1,4H2,2H3;1H3,(H,2,3,4);1H/q+1;;/p-2