N-(2,6-dimethylphenyl)-2-[4-[2-(5-methyl-2-nitro-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(5-methyl-2-nitro-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(5-methyl-2-nitro-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-(5-methyl-2-nitrophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(5-methyl-2-nitrophenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(5-methyl-2-nitro-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C23H29N4O5+ MolecularWeight: 441.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C23H28N4O5/c1-16-7-8-19(27(30)31)20(13-16)32-15-22(29)26-11-9-25(10-12-26)14-21(28)24-23-17(2)5-4-6-18(23)3/h4-8,13H,9-12,14-15H2,1-3H3,(H,24,28)/p+1