2-[1-(2,6-dimethyl-4-nitro-phenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-(2,6-dimethyl-4-nitro-phenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(2,6-dimethyl-4-nitro-phenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[1-(2,6-dimethyl-4-nitrophenyl)-3-(hydroxymethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2,6-dimethyl-4-nitrophenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[1-(2,6-dimethyl-4-nitro-phenyl)-3-methylol-piperazin-1-ium-1-yl]acetamide Formula: C15H23N4O4+ MolecularWeight: 323.36752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+]2(CCNC(C2)CO)CC(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1[N+]2(CCNC(C2)CO)CC(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O4/c1-10-5-13(18(22)23)6-11(2)15(10)19(8-14(16)21)4-3-17-12(7-19)9-20/h5-6,12,17,20H,3-4,7-9H2,1-2H3,(H-,16,21)/p+1