N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-2-methyl-benzamide Formula: C25H27FN3O+ MolecularWeight: 404.499783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C25H26FN3O/c1-19-6-2-4-8-23(19)25(30)27-21-10-12-22(13-11-21)29-16-14-28(15-17-29)18-20-7-3-5-9-24(20)26/h2-13H,14-18H2,1H3,(H,27,30)/p+1