methyl 2-[2-(2-cyanoethyl)pyridin-1-ium-1-yl]ethanoate bromide

Systemtic Name: methyl 2-[2-(2-cyanoethyl)pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: methyl 2-[2-(2-cyanoethyl)pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[2-(2-cyanoethyl)-1-pyridin-1-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[2-(2-cyanoethyl)pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[2-(2-cyanoethyl)pyridin-1-ium-1-yl]acetic acid methyl ester bromide Formula: C11H13BrN2O2 MolecularWeight: 285.13712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=CC=C1CCC#N.[Br-]

Isomeric SMILES

COC(=O)C[N+]1=CC=CC=C1CCC#N.[Br-]

InChI

InChI=1S/C11H13N2O2.BrH/c1-15-11(14)9-13-8-3-2-5-10(13)6-4-7-12;/h2-3,5,8H,4,6,9H2,1H3;1H/q+1;/p-1