2-[2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-(2-chloro-4-fluoro-benzyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C20H23ClFN4O2+ MolecularWeight: 405.873623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)N)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)N)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H22ClFN4O2/c21-17-11-15(22)6-5-14(17)12-25-7-9-26(10-8-25)13-19(27)24-18-4-2-1-3-16(18)20(23)28/h1-6,11H,7-10,12-13H2,(H2,23,28)(H,24,27)/p+1