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

Systemtic Name: octyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: octyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid octyl ester IUPAC Name: octyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid octyl ester Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30NO2/c1-3-5-6-7-8-12-17-25-22(24)21-18-23(4-2)16-15-20(21)19-13-10-9-11-14-19/h9-11,13-16,18H,3-8,12,17H2,1-2H3/q+1