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

Systemtic Name: 1-morpholin-4-yl-2-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-(3-morpholino-4-nitro-phenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-(3-morpholino-4-nitro-phenyl)piperazin-1-ium-1-yl]ethanone Formula: C20H30N5O5+ MolecularWeight: 420.4827

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C20H29N5O5/c26-20(24-9-13-30-14-10-24)16-21-3-5-22(6-4-21)17-1-2-18(25(27)28)19(15-17)23-7-11-29-12-8-23/h1-2,15H,3-14,16H2/p+1