N-(2-fluorophenyl)-5-nitro-2-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(2-fluorophenyl)-5-nitro-2-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-N-(2-fluorophenyl)-5-nitro-benzamide CAS Name: N-(2-fluorophenyl)-5-nitro-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: 2-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-N-(2-fluorophenyl)-5-nitrobenzamide Traditional Name: 2-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-N-(2-fluorophenyl)-5-nitro-benzamide Formula: C26H27FN5O4+ MolecularWeight: 492.522083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F)CC4=CC=CC=C4

InChI

InChI=1S/C26H26FN5O4/c27-22-8-4-5-9-24(22)29-26(34)21-16-20(32(35)36)10-11-23(21)28-25(33)18-31-14-12-30(13-15-31)17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,28,33)(H,29,34)/p+1