N-[2-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[(2-fluorophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-(2-fluorobenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C25H30FN4O+ MolecularWeight: 421.530303

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC=CC=C4F

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4O/c26-23-11-5-4-10-21(23)19-29-17-14-22(15-18-29)30-24(13-16-27-30)28-25(31)12-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-11,13,16,22H,6,9,12,14-15,17-19H2,(H,28,31)/p+1