1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-(4-benzylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-benzylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-(4-benzylpiperidin-1-ium-1-yl)ethanone Formula: C26H33FN3O2+ MolecularWeight: 438.557523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)F

InChI

InChI=1S/C26H32FN3O2/c1-20(31)23-7-8-25(24(27)18-23)29-13-15-30(16-14-29)26(32)19-28-11-9-22(10-12-28)17-21-5-3-2-4-6-21/h2-8,18,22H,9-17,19H2,1H3/p+1