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

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C19H23N4O5+ MolecularWeight: 387.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5/c1-28-14-6-7-15(17(12-14)23(26)27)20-19(25)13-21-8-10-22(11-9-21)16-4-2-3-5-18(16)24/h2-7,12,24H,8-11,13H2,1H3,(H,20,25)/p+1