methyl (E)-3-[4-(1H-imidazol-1-ium-1-ylmethyl)phenyl]prop-2-enoate bromide

Systemtic Name: methyl (E)-3-[4-(1H-imidazol-1-ium-1-ylmethyl)phenyl]prop-2-enoate bromide Openeye Name: methyl (E)-3-[4-(1H-imidazol-1-ium-1-ylmethyl)phenyl]prop-2-enoate bromide CAS Name: (E)-3-[4-(1H-imidazol-1-ium-1-ylmethyl)phenyl]-2-propenoic acid methyl ester bromide IUPAC Name: methyl (E)-3-[4-(1H-imidazol-1-ium-1-ylmethyl)phenyl]prop-2-enoate bromide Traditional Name: (E)-3-[4-(1H-imidazol-1-ium-1-ylmethyl)phenyl]acrylic acid methyl ester bromide Formula: C14H15BrN2O2 MolecularWeight: 323.1851

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)C[NH+]2C=CN=C2.[Br-]

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)C[NH+]2C=CN=C2.[Br-]

InChI

InChI=1S/C14H14N2O2.BrH/c1-18-14(17)7-6-12-2-4-13(5-3-12)10-16-9-8-15-11-16;/h2-9,11H,10H2,1H3;1H/b7-6+;