2-methyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-aniline

Systemtic Name: 2-methyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-aniline Openeye Name: 2-methyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-aniline CAS Name: 2-methyl-5-(4-methyl-1-piperazin-4-iumyl)-4-nitroaniline IUPAC Name: 2-methyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitroaniline Traditional Name: [2-methyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]amine Formula: C12H19N4O2+ MolecularWeight: 251.30486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1N)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O2/c1-9-7-12(16(17)18)11(8-10(9)13)15-5-3-14(2)4-6-15/h7-8H,3-6,13H2,1-2H3/p+1