(2-cyano-1-methyl-pyridin-1-ium-4-yl)methyl 4-bromanylbenzoate

Systemtic Name: (2-cyano-1-methyl-pyridin-1-ium-4-yl)methyl 4-bromanylbenzoate Openeye Name: (2-cyano-1-methyl-pyridin-1-ium-4-yl)methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid (2-cyano-1-methyl-4-pyridin-1-iumyl)methyl ester IUPAC Name: (2-cyano-1-methylpyridin-1-ium-4-yl)methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (2-cyano-1-methyl-pyridin-1-ium-4-yl)methyl ester Formula: C15H12BrN2O2+ MolecularWeight: 332.17198

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

C[N+]1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C15H12BrN2O2/c1-18-7-6-11(8-14(18)9-17)10-20-15(19)12-2-4-13(16)5-3-12/h2-8H,10H2,1H3/q+1