2-[4-(4-chloranyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(4-chloranyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(4-chloro-3-nitro-benzoyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[(4-chloro-3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(4-chloro-3-nitrobenzoyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(4-chloro-3-nitro-benzoyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C17H22ClN4O5+ MolecularWeight: 397.83338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN4O5/c18-14-2-1-13(11-15(14)22(25)26)17(24)21-5-3-19(4-6-21)12-16(23)20-7-9-27-10-8-20/h1-2,11H,3-10,12H2/p+1