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

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C19H23N4O4+ MolecularWeight: 371.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4/c1-14-17(3-2-4-18(14)23(26)27)20-19(25)13-21-9-11-22(12-10-21)15-5-7-16(24)8-6-15/h2-8,24H,9-13H2,1H3,(H,20,25)/p+1