N-[(2-fluorophenyl)methyl]-4-[4-(4-pyridin-2-ylpiperazin-1-ium-1-yl)piperidin-1-yl]benzamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-4-[4-(4-pyridin-2-ylpiperazin-1-ium-1-yl)piperidin-1-yl]benzamide Openeye Name: N-[(2-fluorophenyl)methyl]-4-[4-[4-(2-pyridyl)piperazin-1-ium-1-yl]-1-piperidyl]benzamide CAS Name: N-[(2-fluorophenyl)methyl]-4-[4-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-1-piperidinyl]benzamide IUPAC Name: N-[(2-fluorophenyl)methyl]-4-[4-(4-pyridin-2-ylpiperazin-1-ium-1-yl)piperidin-1-yl]benzamide Traditional Name: N-(2-fluorobenzyl)-4-[4-[4-(2-pyridyl)piperazin-1-ium-1-yl]piperidino]benzamide 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)C(=O)NCC5=CC=CC=C5F

Isomeric SMILES

C1CN(CCC1[NH+]2CCN(CC2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5F

InChI

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