2-(3-methyl-4-nitro-phenoxy)-N-(4-methylpiperazin-4-ium-1-yl)ethanamide

Systemtic Name: 2-(3-methyl-4-nitro-phenoxy)-N-(4-methylpiperazin-4-ium-1-yl)ethanamide Openeye Name: 2-(3-methyl-4-nitro-phenoxy)-N-(4-methylpiperazin-4-ium-1-yl)acetamide CAS Name: 2-(3-methyl-4-nitrophenoxy)-N-(4-methyl-1-piperazin-4-iumyl)acetamide IUPAC Name: 2-(3-methyl-4-nitrophenoxy)-N-(4-methylpiperazin-4-ium-1-yl)acetamide Traditional Name: 2-(3-methyl-4-nitro-phenoxy)-N-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C14H21N4O4+ MolecularWeight: 309.34094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NN2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NN2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O4/c1-11-9-12(3-4-13(11)18(20)21)22-10-14(19)15-17-7-5-16(2)6-8-17/h3-4,9H,5-8,10H2,1-2H3,(H,15,19)/p+1