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

Systemtic Name: methyl 2-[4-[(E)-2-(4-methanoylphenyl)ethenyl]pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: methyl 2-[4-[(E)-2-(4-formylphenyl)vinyl]pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[4-[(E)-2-(4-formylphenyl)ethenyl]-1-pyridin-1-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[4-[(E)-2-(4-formylphenyl)ethenyl]pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[4-[(E)-2-(4-formylphenyl)vinyl]pyridin-1-ium-1-yl]acetic acid methyl ester bromide Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16NO3.BrH/c1-21-17(20)12-18-10-8-15(9-11-18)3-2-14-4-6-16(13-19)7-5-14;/h2-11,13H,12H2,1H3;1H/q+1;/p-1/b3-2+;