pentyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate

Systemtic Name: pentyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: pentyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid pentyl ester IUPAC Name: pentyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid amyl ester Formula: C19H24NO2+ MolecularWeight: 298.39936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C=C[N+](=C1)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC(=O)C1=C(C=C[N+](=C1)CC)C2=CC=CC=C2

InChI

InChI=1S/C19H24NO2/c1-3-5-9-14-22-19(21)18-15-20(4-2)13-12-17(18)16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3/q+1