N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

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