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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C19H21BrClN4O3+ MolecularWeight: 468.75204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrClN4O3/c20-17-11-16(25(27)28)4-5-18(17)22-19(26)13-24-8-6-23(7-9-24)12-14-2-1-3-15(21)10-14/h1-5,10-11H,6-9,12-13H2,(H,22,26)/p+1