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

Systemtic Name: ethyl (E)-but-2-enoate; pyridin-1-ium; bromide Openeye Name: ethyl (E)-but-2-enoate; pyridin-1-ium; bromide CAS Name: (E)-2-butenoic acid ethyl ester; pyridin-1-ium; bromide IUPAC Name: ethyl (E)-but-2-enoate; pyridin-1-ium; bromide Traditional Name: (E)-but-2-enoic acid ethyl ester; pyridin-1-ium; bromide Formula: C11H16BrNO2 MolecularWeight: 274.15424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O2.C5H5N.BrH/c1-3-5-6(7)8-4-2;1-2-4-6-5-3-1;/h3,5H,4H2,1-2H3;1-5H;1H/b5-3+;;