1-methyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazin-1-ium Openeye Name: 1-methyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazin-1-ium CAS Name: 1-methyl-4-[3-(4-methyl-1-piperazin-4-iumyl)-4-nitrophenyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitrophenyl]piperazin-1-ium Traditional Name: 1-methyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazin-1-ium Formula: C16H27N5O2+2 MolecularWeight: 321.41788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CC[NH+](CC3)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CC[NH+](CC3)C

InChI

InChI=1S/C16H25N5O2/c1-17-5-9-19(10-6-17)14-3-4-15(21(22)23)16(13-14)20-11-7-18(2)8-12-20/h3-4,13H,5-12H2,1-2H3/p+2