N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2,2-dimethyl-propanamide CAS Name: N-[4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-2,2-dimethylpropanamide IUPAC Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2,2-dimethylpropanamide Traditional Name: N-[4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-2,2-dimethyl-propionamide Formula: C22H29FN3O+ MolecularWeight: 370.483563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O/c1-22(2,3)21(27)24-19-8-10-20(11-9-19)26-14-12-25(13-15-26)16-17-4-6-18(23)7-5-17/h4-11H,12-16H2,1-3H3,(H,24,27)/p+1