N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3C)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H26N4O4/c1-15-6-4-5-7-18(15)24-10-8-23(9-11-24)14-21(26)22-17-13-20(29-3)19(25(27)28)12-16(17)2/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,26)/p+1