1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-fluoro-5-methoxy-phenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-fluoro-5-methoxyphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-fluoro-5-methoxyphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-fluoro-5-methoxy-benzyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C23H26FN4O2+ MolecularWeight: 409.476543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=NN4

Isomeric SMILES

COC1=CC(=C(C=C1)F)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=NN4

InChI

InChI=1S/C23H25FN4O2/c1-30-20-5-6-21(24)18(14-20)15-28-11-8-16(9-12-28)23(29)26-19-4-2-3-17(13-19)22-7-10-25-27-22/h2-7,10,13-14,16H,8-9,11-12,15H2,1H3,(H,25,27)(H,26,29)/p+1