2-(3-fluorophenyl)-N-[4-[4-(4-pyridin-2-ylpiperazin-1-ium-1-yl)piperidin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(3-fluorophenyl)-N-[4-[4-(4-pyridin-2-ylpiperazin-1-ium-1-yl)piperidin-1-yl]phenyl]ethanamide Openeye Name: 2-(3-fluorophenyl)-N-[4-[4-[4-(2-pyridyl)piperazin-1-ium-1-yl]-1-piperidyl]phenyl]acetamide CAS Name: 2-(3-fluorophenyl)-N-[4-[4-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-1-piperidinyl]phenyl]acetamide IUPAC Name: 2-(3-fluorophenyl)-N-[4-[4-(4-pyridin-2-ylpiperazin-1-ium-1-yl)piperidin-1-yl]phenyl]acetamide Traditional Name: 2-(3-fluorophenyl)-N-[4-[4-[4-(2-pyridyl)piperazin-1-ium-1-yl]piperidino]phenyl]acetamide Formula: C28H33FN5O+ MolecularWeight: 474.592923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCN(CC2)C3=CC=CC=N3)C4=CC=C(C=C4)NC(=O)CC5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCC1[NH+]2CCN(CC2)C3=CC=CC=N3)C4=CC=C(C=C4)NC(=O)CC5=CC(=CC=C5)F

InChI

InChI=1S/C28H32FN5O/c29-23-5-3-4-22(20-23)21-28(35)31-24-7-9-25(10-8-24)32-14-11-26(12-15-32)33-16-18-34(19-17-33)27-6-1-2-13-30-27/h1-10,13,20,26H,11-12,14-19,21H2,(H,31,35)/p+1