(3R,5R)-1-(2,4-dinitrophenyl)-3,5-dimethyl-piperazin-4-ium

Systemtic Name: (3R,5R)-1-(2,4-dinitrophenyl)-3,5-dimethyl-piperazin-4-ium Openeye Name: (3R,5R)-1-(2,4-dinitrophenyl)-3,5-dimethyl-piperazin-4-ium CAS Name: (3R,5R)-1-(2,4-dinitrophenyl)-3,5-dimethylpiperazin-4-ium IUPAC Name: (3R,5R)-1-(2,4-dinitrophenyl)-3,5-dimethylpiperazin-4-ium Traditional Name: (3R,5R)-1-(2,4-dinitrophenyl)-3,5-dimethyl-piperazin-4-ium Formula: C12H17N4O4+ MolecularWeight: 281.28778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CN(C[C@H]([NH2+]1)C)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4/c1-8-6-14(7-9(2)13-8)11-4-3-10(15(17)18)5-12(11)16(19)20/h3-5,8-9,13H,6-7H2,1-2H3/p+1/t8-,9-/m1/s1