N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C

InChI

InChI=1S/C20H24N4O4/c1-14-7-8-17(24(27)28)20(15(14)2)21-19(26)13-22-9-11-23(12-10-22)16-5-3-4-6-18(16)25/h3-8,25H,9-13H2,1-2H3,(H,21,26)/p+1