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

Systemtic Name: methyl (E)-but-2-enoate; pyridin-1-ium; bromide Openeye Name: methyl (E)-but-2-enoate; pyridin-1-ium; bromide CAS Name: (E)-2-butenoic acid methyl ester; pyridin-1-ium; bromide IUPAC Name: methyl (E)-but-2-enoate; pyridin-1-ium; bromide Traditional Name: (E)-but-2-enoic acid methyl ester; pyridin-1-ium; bromide Formula: C10H14BrNO2 MolecularWeight: 260.12766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H5N.C5H8O2.BrH/c1-2-4-6-5-3-1;1-3-4-5(6)7-2;/h1-5H;3-4H,1-2H3;1H/b;4-3+;