ethyl (3R)-3-(4-fluorophenyl)-3-piperidin-1-ium-4-yl-propanoate

Systemtic Name: ethyl (3R)-3-(4-fluorophenyl)-3-piperidin-1-ium-4-yl-propanoate Openeye Name: ethyl (3R)-3-(4-fluorophenyl)-3-piperidin-1-ium-4-yl-propanoate CAS Name: (3R)-3-(4-fluorophenyl)-3-(4-piperidin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(4-fluorophenyl)-3-piperidin-1-ium-4-ylpropanoate Traditional Name: (3R)-3-(4-fluorophenyl)-3-piperidin-1-ium-4-yl-propionic acid ethyl ester Formula: C16H23FNO2+ MolecularWeight: 280.357723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CC[NH2+]CC1)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C[C@H](C1CC[NH2+]CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H22FNO2/c1-2-20-16(19)11-15(13-7-9-18-10-8-13)12-3-5-14(17)6-4-12/h3-6,13,15,18H,2,7-11H2,1H3/p+1/t15-/m0/s1