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

Systemtic Name: hexyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: hexyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid hexyl ester IUPAC Name: hexyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid hexyl ester Formula: C20H26NO2+ MolecularWeight: 312.42594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26NO2/c1-3-5-6-10-15-23-20(22)19-16-21(4-2)14-13-18(19)17-11-8-7-9-12-17/h7-9,11-14,16H,3-6,10,15H2,1-2H3/q+1