2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C21H25N4O5+ MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N4O5/c1-15(26)16-3-5-17(6-4-16)24-11-9-23(10-12-24)14-21(27)22-19-8-7-18(25(28)29)13-20(19)30-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,27)/p+1