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

Systemtic Name: 3-fluoranyl-N-[2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 3-fluoro-N-[2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 3-fluoro-N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 3-fluoro-N-[2-[1-(2-fluoro-4-methoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C23H25F2N4O2+ MolecularWeight: 427.467006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F)F

InChI

InChI=1S/C23H24F2N4O2/c1-31-20-6-5-17(21(25)14-20)15-28-11-8-19(9-12-28)29-22(7-10-26-29)27-23(30)16-3-2-4-18(24)13-16/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,27,30)/p+1