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

Systemtic Name: 2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-(2-chloro-4-nitrophenyl)-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(2-chloro-4-nitrophenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C16H22ClN4O4+ MolecularWeight: 369.82328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O4/c17-14-11-13(21(23)24)1-2-15(14)19-5-3-18(4-6-19)12-16(22)20-7-9-25-10-8-20/h1-2,11H,3-10,12H2/p+1