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

Systemtic Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-propoxyphenyl)ethanamide Openeye Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-propoxyphenyl)acetamide CAS Name: 2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-N-(2-propoxyphenyl)acetamide IUPAC Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-propoxyphenyl)acetamide Traditional Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-propoxyphenyl)acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-2-15-29-20-10-6-3-7-17(20)22-21(26)16-23-11-13-24(14-12-23)18-8-4-5-9-19(18)25(27)28/h3-10H,2,11-16H2,1H3,(H,22,26)/p+1