2-(1-ethyl-4-methyl-pyridin-1-ium-3-yl)ethyl ethanoate bromide

Systemtic Name: 2-(1-ethyl-4-methyl-pyridin-1-ium-3-yl)ethyl ethanoate bromide Openeye Name: 2-(1-ethyl-4-methyl-pyridin-1-ium-3-yl)ethyl acetate bromide CAS Name: acetic acid 2-(1-ethyl-4-methyl-3-pyridin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-ethyl-4-methylpyridin-1-ium-3-yl)ethyl acetate bromide Traditional Name: acetic acid 2-(1-ethyl-4-methyl-pyridin-1-ium-3-yl)ethyl ester bromide Formula: C12H18BrNO2 MolecularWeight: 288.18082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18NO2.BrH/c1-4-13-7-5-10(2)12(9-13)6-8-15-11(3)14;/h5,7,9H,4,6,8H2,1-3H3;1H/q+1;/p-1