ethyl (E)-2-(pyridin-1-ium-1-ylmethyl)but-2-enoate bromide

Systemtic Name: ethyl (E)-2-(pyridin-1-ium-1-ylmethyl)but-2-enoate bromide Openeye Name: ethyl (E)-2-(pyridin-1-ium-1-ylmethyl)but-2-enoate bromide CAS Name: (E)-2-(1-pyridin-1-iumylmethyl)-2-butenoic acid ethyl ester bromide IUPAC Name: ethyl (E)-2-(pyridin-1-ium-1-ylmethyl)but-2-enoate bromide Traditional Name: (E)-2-(pyridin-1-ium-1-ylmethyl)but-2-enoic acid ethyl ester bromide Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO2.BrH/c1-3-11(12(14)15-4-2)10-13-8-6-5-7-9-13;/h3,5-9H,4,10H2,1-2H3;1H/q+1;/p-1/b11-3+;