2-[methyl-(3-methyl-5-nitro-imidazol-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[methyl-(3-methyl-5-nitro-imidazol-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[methyl-(3-methyl-5-nitro-imidazol-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[methyl-(3-methyl-5-nitro-4-imidazolyl)amino]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[methyl-(3-methyl-5-nitroimidazol-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[methyl-(3-methyl-5-nitro-imidazol-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C12H21N6O3+ MolecularWeight: 297.33354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C)C2=C(N=CN2C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C)C2=C(N=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C12H20N6O3/c1-14-4-6-17(7-5-14)10(19)8-15(2)12-11(18(20)21)13-9-16(12)3/h9H,4-8H2,1-3H3/p+1