N-[(2-methylphenyl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2-methylphenyl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(o-tolylmethyl)acetamide CAS Name: N-[(2-methylphenyl)methyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-methylphenyl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methylbenzyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c1-16-4-2-3-5-17(16)14-21-20(25)15-22-10-12-23(13-11-22)18-6-8-19(9-7-18)24(26)27/h2-9H,10-15H2,1H3,(H,21,25)/p+1