2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H26N4O3/c1-15-5-4-6-20(17(15)3)24-11-9-23(10-12-24)14-21(26)22-19-13-18(25(27)28)8-7-16(19)2/h4-8,13H,9-12,14H2,1-3H3,(H,22,26)/p+1