2,2-dimethyl-3-(2-nitrophenoxy)-1-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: 2,2-dimethyl-3-(2-nitrophenoxy)-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: 2,2-dimethyl-3-(2-nitrophenoxy)-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: 2,2-dimethyl-3-(2-nitrophenoxy)-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: 2,2-dimethyl-3-(2-nitrophenoxy)-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: 2,2-dimethyl-3-(2-nitrophenoxy)-1-piperazin-4-ium-1-yl-propan-1-one Formula: C15H22N3O4+ MolecularWeight: 308.35288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC=CC=C1[N+](=O)[O-])C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)(COC1=CC=CC=C1[N+](=O)[O-])C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H21N3O4/c1-15(2,14(19)17-9-7-16-8-10-17)11-22-13-6-4-3-5-12(13)18(20)21/h3-6,16H,7-11H2,1-2H3/p+1