ethyl 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-bromo-4-fluoro-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-bromo-4-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-bromo-4-fluoro-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C15H20BrFNO2+ MolecularWeight: 345.227203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C15H19BrFNO2/c1-2-20-15(19)12-5-7-18(8-6-12)10-11-3-4-14(17)13(16)9-11/h3-4,9,12H,2,5-8,10H2,1H3/p+1