N-[(4-fluorophenyl)methyl]-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: 3-[1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-4-yl]-N-[(4-fluorophenyl)methyl]propanamide CAS Name: N-[(4-fluorophenyl)methyl]-3-[1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: 3-[1-(2-allyloxybenzyl)piperidin-1-ium-4-yl]-N-(4-fluorobenzyl)propionamide Formula: C25H32FN2O2+ MolecularWeight: 411.532183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)CCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)CCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C25H31FN2O2/c1-2-17-30-24-6-4-3-5-22(24)19-28-15-13-20(14-16-28)9-12-25(29)27-18-21-7-10-23(26)11-8-21/h2-8,10-11,20H,1,9,12-19H2,(H,27,29)/p+1