2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-benzyl-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-furanylmethyl)-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-benzyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-benzyl-N-(2-furfuryl)acetamide Formula: C26H29FN3O3+ MolecularWeight: 450.525163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CO4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CO4)F

InChI

InChI=1S/C26H28FN3O3/c1-20(31)22-9-10-25(24(27)16-22)29-13-11-28(12-14-29)19-26(32)30(18-23-8-5-15-33-23)17-21-6-3-2-4-7-21/h2-10,15-16H,11-14,17-19H2,1H3/p+1