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

Systemtic Name: (2-cyano-1-methyl-pyridin-1-ium-4-yl)methyl 2-phenylethanoate Openeye Name: (2-cyano-1-methyl-pyridin-1-ium-4-yl)methyl 2-phenylacetate CAS Name: 2-phenylacetic acid (2-cyano-1-methyl-4-pyridin-1-iumyl)methyl ester IUPAC Name: (2-cyano-1-methylpyridin-1-ium-4-yl)methyl 2-phenylacetate Traditional Name: 2-phenylacetic acid (2-cyano-1-methyl-pyridin-1-ium-4-yl)methyl ester Formula: C16H15N2O2+ MolecularWeight: 267.3025

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C=C1)COC(=O)CC2=CC=CC=C2)C#N

Isomeric SMILES

C[N+]1=C(C=C(C=C1)COC(=O)CC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H15N2O2/c1-18-8-7-14(9-15(18)11-17)12-20-16(19)10-13-5-3-2-4-6-13/h2-9H,10,12H2,1H3/q+1