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

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-morpholinophenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-morpholinophenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c28-22(23-18-1-3-19(4-2-18)26-13-15-31-16-14-26)17-24-9-11-25(12-10-24)20-5-7-21(8-6-20)27(29)30/h1-8H,9-17H2,(H,23,28)/p+1