N-[2-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]-5-nitro-phenyl]ethanamide

Systemtic Name: N-[2-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]-5-nitro-phenyl]ethanamide Openeye Name: N-[2-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]-5-nitro-phenyl]acetamide CAS Name: N-[2-[3-(1,4-dimethyl-1-piperazin-1-iumyl)propoxy]-5-nitrophenyl]acetamide IUPAC Name: N-[2-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]-5-nitrophenyl]acetamide Traditional Name: N-[2-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]-5-nitro-phenyl]acetamide Formula: C17H27N4O4+ MolecularWeight: 351.42068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OCCC[N+]2(CCN(CC2)C)C

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OCCC[N+]2(CCN(CC2)C)C

InChI

InChI=1S/C17H26N4O4/c1-14(22)18-16-13-15(20(23)24)5-6-17(16)25-12-4-9-21(3)10-7-19(2)8-11-21/h5-6,13H,4,7-12H2,1-3H3/p+1