1-[2-chloranyl-3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[2-chloranyl-3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[2-chloro-3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]-4-methyl-piperazin-4-ium CAS Name: 1-[2-chloro-3-(4-methyl-1-piperazin-4-iumyl)-4-nitrophenyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[2-chloro-3-(4-methylpiperazin-4-ium-1-yl)-4-nitrophenyl]-4-methylpiperazin-4-ium Traditional Name: 1-[2-chloro-3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]-4-methyl-piperazin-4-ium Formula: C16H26ClN5O2+2 MolecularWeight: 355.86294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN5O2/c1-18-5-9-20(10-6-18)13-3-4-14(22(23)24)16(15(13)17)21-11-7-19(2)8-12-21/h3-4H,5-12H2,1-2H3/p+2