methyl 2-[4-[(E)-2-(4-methanoylphenyl)ethenyl]pyridin-1-ium-1-yl]propanoate bromide

Systemtic Name: methyl 2-[4-[(E)-2-(4-methanoylphenyl)ethenyl]pyridin-1-ium-1-yl]propanoate bromide Openeye Name: methyl 2-[4-[(E)-2-(4-formylphenyl)vinyl]pyridin-1-ium-1-yl]propanoate bromide CAS Name: 2-[4-[(E)-2-(4-formylphenyl)ethenyl]-1-pyridin-1-iumyl]propanoic acid methyl ester bromide IUPAC Name: methyl 2-[4-[(E)-2-(4-formylphenyl)ethenyl]pyridin-1-ium-1-yl]propanoate bromide Traditional Name: 2-[4-[(E)-2-(4-formylphenyl)vinyl]pyridin-1-ium-1-yl]propionic acid methyl ester bromide Formula: C18H18BrNO3 MolecularWeight: 376.24442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=O.[Br-]

Isomeric SMILES

CC(C(=O)OC)[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C=O.[Br-]

InChI

InChI=1S/C18H18NO3.BrH/c1-14(18(21)22-2)19-11-9-16(10-12-19)4-3-15-5-7-17(13-20)8-6-15;/h3-14H,1-2H3;1H/q+1;/p-1/b4-3+;