2-fluoranyl-N-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 2-fluoranyl-N-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 2-fluoro-N-[2-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 2-fluoro-N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 2-fluoro-N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: 2-fluoro-N-[2-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]benzamide Formula: C23H29FN3O2+ MolecularWeight: 398.493663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H28FN3O2/c1-17(2)19-9-7-18(8-10-19)16-26-11-13-27(14-12-26)22(28)15-25-23(29)20-5-3-4-6-21(20)24/h3-10,17H,11-16H2,1-2H3,(H,25,29)/p+1