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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H20BrN4O4+ MolecularWeight: 436.2798

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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)C3=CC=C(C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O4/c19-16-11-14(23(26)27)3-6-17(16)20-18(25)12-21-7-9-22(10-8-21)13-1-4-15(24)5-2-13/h1-6,11,24H,7-10,12H2,(H,20,25)/p+1