2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(4-fluoranyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(4-fluoranyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(4-fluoro-2-nitro-phenyl)acetamide CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-(4-fluoro-2-nitrophenyl)acetamide IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(4-fluoro-2-nitrophenyl)acetamide Traditional Name: 2-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]-N-(4-fluoro-2-nitro-phenyl)acetamide Formula: C19H21ClFN4O3+ MolecularWeight: 407.846443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H20ClFN4O3/c20-15-3-1-2-14(10-15)12-23-6-8-24(9-7-23)13-19(26)22-17-5-4-16(21)11-18(17)25(27)28/h1-5,10-11H,6-9,12-13H2,(H,22,26)/p+1