2-[2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanoylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C27H28FN4O3+ MolecularWeight: 475.534623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H27FN4O3/c28-23-12-6-4-10-21(23)27(35)32-16-14-31(15-17-32)19-25(33)30-24-13-7-5-11-22(24)26(34)29-18-20-8-2-1-3-9-20/h1-13H,14-19H2,(H,29,34)(H,30,33)/p+1