ethanoic acid; 2-ethenyl-1-ethyl-pyridin-1-ium; 3-ethenyl-1-methyl-pyridin-1-ium; dibromide

Systemtic Name: ethanoic acid; 2-ethenyl-1-ethyl-pyridin-1-ium; 3-ethenyl-1-methyl-pyridin-1-ium; dibromide Openeye Name: acetic acid; 1-ethyl-2-vinyl-pyridin-1-ium; 1-methyl-3-vinyl-pyridin-1-ium; dibromide CAS Name: acetic acid; 2-ethenyl-1-ethylpyridin-1-ium; 3-ethenyl-1-methylpyridin-1-ium; dibromide IUPAC Name: acetic acid; 2-ethenyl-1-ethylpyridin-1-ium; 3-ethenyl-1-methylpyridin-1-ium; dibromide Traditional Name: acetic acid; 1-ethyl-2-vinyl-pyridin-1-ium; 1-methyl-3-vinyl-pyridin-1-ium; dibromide Formula: C19H26Br2N2O2 MolecularWeight: 474.22994

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1C=C.CC(=O)O.C[N+]1=CC=CC(=C1)C=C.[Br-].[Br-]

Isomeric SMILES

CC[N+]1=CC=CC=C1C=C.CC(=O)O.C[N+]1=CC=CC(=C1)C=C.[Br-].[Br-]

InChI

InChI=1S/C9H12N.C8H10N.C2H4O2.2BrH/c1-3-9-7-5-6-8-10(9)4-2;1-3-8-5-4-6-9(2)7-8;1-2(3)4;;/h3,5-8H,1,4H2,2H3;3-7H,1H2,2H3;1H3,(H,3,4);2*1H/q2*+1;;;/p-2