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

Systemtic Name: 4-tert-butyl-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]benzamide Formula: C28H33FN3O+ MolecularWeight: 446.579523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C28H32FN3O/c1-28(2,3)23-8-6-22(7-9-23)27(33)30-25-12-14-26(15-13-25)32-18-16-31(17-19-32)20-21-4-10-24(29)11-5-21/h4-15H,16-20H2,1-3H3,(H,30,33)/p+1