1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(2-fluoranylphenoxy)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(2-fluoranylphenoxy)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H30FN4O2+ MolecularWeight: 437.529703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4F

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4O2/c1-3-30-17-20(18(2)28-30)16-29-14-12-19(13-15-29)25(31)27-21-8-10-22(11-9-21)32-24-7-5-4-6-23(24)26/h4-11,17,19H,3,12-16H2,1-2H3,(H,27,31)/p+1